SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'MES'


List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1A4L_D_DCFD1853_1
(ADENOSINE DEAMINASE)		 5tp4 AMIDASE,
HYDANTOINASE/CARBAMO
YLASE FAMILY
(Burkholderia
ambifaria) 		5 / 12 ALA A 356
GLY A 355
HIS A 358
HIS A 190
ASP A  95
 MES  A 503 (-3.7A)
None
None
ZN  A 501 (-3.6A)
ZN  A 502 ( 4.1A)
 1.47A 1a4lD-5tp4A:
undetectable		 1a4lD-5tp4A:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ACJ_A_THAA999_1
(ACETYLCHOLINESTERASE)		 5tp4 AMIDASE,
HYDANTOINASE/CARBAMO
YLASE FAMILY
(Burkholderia
ambifaria) 		5 / 9 GLY A  96
TYR A 186
ILE A 361
HIS A 358
GLY A 357
 ZN  A 501 (-3.9A)
None
EDO  A 504 ( 4.2A)
None
MES  A 503 (-3.9A)
 1.29A 1acjA-5tp4A:
2.2		 1acjA-5tp4A:
19.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AO8_A_MTXA170_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ALA A  15
ASP A  53
PHE A  57
SER A 117
LEU A 128
ARG A 131
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-2.9A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
 1.26A 1ao8A-2blbA:
18.8		 1ao8A-2blbA:
22.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AO8_A_MTXA170_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		5 / 12 ALA A  15
ASP A  53
PHE A  57
SER A 120
LEU A 128
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-3.6A)
MES  A1241 (-4.5A)
 1.01A 1ao8A-2blbA:
18.8		 1ao8A-2blbA:
22.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1BX4_A_ADNA350_2
(PROTEIN (ADENOSINE
KINASE))		 5t3a INTEGRASE
(Visna-maedi
virus) 		3 / 3 LEU A 167
SER A 176
ASN A 172
 MES  A 304 ( 4.4A)
ACT  A 301 (-3.0A)
ACT  A 301 (-4.0A)
 0.74A 1bx4A-5t3aA:
undetectable		 1bx4A-5t3aA:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1CD2_A_FOLA307_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ALA A  15
LEU A  45
PRO A 122
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
None
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.81A 1cd2A-2blbA:
21.1		 1cd2A-2blbA:
28.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1CD2_A_FOLA307_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
LEU A  45
PHE A  57
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.57A 1cd2A-2blbA:
21.1		 1cd2A-2blbA:
28.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1D1G_A_MTXA171_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ALA A  15
ASP A  53
ILE A 121
LEU A 128
ARG A 131
ILE A 173
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 ( 3.8A)
CP7  A1240 (-4.1A)
 0.61A 1d1gA-2blbA:
18.3		 1d1gA-2blbA:
25.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1D1G_A_MTXA171_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ALA A  15
ASP A  53
LYS A  55
ARG A 131
ILE A 173
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
None
MES  A1241 (-2.7A)
CP7  A1240 ( 3.8A)
CP7  A1240 (-4.1A)
 1.18A 1d1gA-2blbA:
18.3		 1d1gA-2blbA:
25.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1D1G_B_MTXB171_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ALA A  15
ASP A  53
ILE A 121
LEU A 128
ARG A 131
ILE A 173
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 ( 3.8A)
CP7  A1240 (-4.1A)
 0.69A 1d1gB-2blbA:
18.3		 1d1gB-2blbA:
25.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DDR_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ILE A  13
ALA A  15
ASP A  53
ILE A 121
LEU A 128
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
 0.65A 1ddrA-2blbA:
19.0		 1ddrA-2blbA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DDR_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ILE A  13
ALA A  15
ASP A  53
LEU A 128
ARG A 131
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.48A 1ddrA-2blbA:
19.0		 1ddrA-2blbA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DDR_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ILE A  13
ALA A  15
ASP A  53
SER A 120
LEU A 128
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
NDP  A1239 (-3.6A)
MES  A1241 (-4.5A)
None
 0.64A 1ddrA-2blbA:
19.0		 1ddrA-2blbA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DDR_B_MTXB200_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
ASP A  53
ILE A 121
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.64A 1ddrB-2blbA:
19.3		 1ddrB-2blbA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DDR_B_MTXB200_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
ASP A  53
PHE A  57
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.30A 1ddrB-2blbA:
19.3		 1ddrB-2blbA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DDS_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
ASP A  53
ILE A 121
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.62A 1ddsA-2blbA:
19.2		 1ddsA-2blbA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DDS_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
ASP A  53
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.36A 1ddsA-2blbA:
19.2		 1ddsA-2blbA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DDS_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		9 / 12 ILE A  13
ALA A  15
ASP A  53
SER A 120
ILE A 121
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.58A 1ddsB-2blbA:
19.6		 1ddsB-2blbA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DF7_A_MTXA501_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
ASP A  53
PRO A 122
LEU A 128
ARG A 131
ILE A 173
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
None
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 ( 3.8A)
None
 0.69A 1df7A-2blbA:
19.6		 1df7A-2blbA:
24.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DG5_A_TOPA201_1
(DIHYDROFOLATE
REDUCTASE)		 6ffh METABOTROPIC
GLUTAMATE RECEPTOR
5,ENDOLYSIN
(Escherichia
virus
T4;
Homo
sapiens) 		5 / 11 ILE A 636
ALA A 579
ASP A 577
SER A1795
ILE A1799
 OLA  A4004 (-4.6A)
None
None
None
MES  A4005 (-4.1A)
 1.13A 1dg5A-6ffhA:
undetectable		 1dg5A-6ffhA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DHF_A_FOLA187_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
PHE A  57
ILE A 121
PRO A 122
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
None
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.71A 1dhfA-2blbA:
22.0		 1dhfA-2blbA:
29.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DHF_B_FOLB187_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
PHE A  57
ILE A 121
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.54A 1dhfB-2blbA:
22.2		 1dhfB-2blbA:
29.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DHI_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
ILE A 121
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.71A 1dhiA-2blbA:
19.3		 1dhiA-2blbA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DHI_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
SER A 120
LEU A 128
ARG A 131
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
NDP  A1239 (-3.6A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.64A 1dhiA-2blbA:
19.3		 1dhiA-2blbA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DHI_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 11 ILE A  13
ALA A  15
ILE A 121
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.66A 1dhiB-2blbA:
19.8		 1dhiB-2blbA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DHI_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 11 ILE A  13
ALA A  15
LEU A 128
ARG A 131
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.40A 1dhiB-2blbA:
19.8		 1dhiB-2blbA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DHJ_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
ILE A 121
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.74A 1dhjA-2blbA:
19.4		 1dhjA-2blbA:
24.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DHJ_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
SER A 120
LEU A 128
ARG A 131
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
NDP  A1239 (-3.6A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.65A 1dhjA-2blbA:
19.4		 1dhjA-2blbA:
24.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DHJ_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
ILE A 121
LEU A 128
PRO A 129
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.79A 1dhjB-2blbA:
19.8		 1dhjB-2blbA:
24.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DHJ_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
LEU A 128
PRO A 129
ARG A 131
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
MES  A1241 (-4.5A)
None
MES  A1241 (-2.7A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.46A 1dhjB-2blbA:
19.8		 1dhjB-2blbA:
24.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DLS_A_MTXA188_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
SER A 120
ILE A 121
PRO A 122
LEU A 128
ARG A 131
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
None
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.56A 1dlsA-2blbA:
22.5		 1dlsA-2blbA:
29.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DMA_A_NCAA700_0
(EXOTOXIN A)		 3hmc PUTATIVE PROPHAGE
LAMBDABA04, GLYCOSYL
HYDROLASE, FAMILY 25
(Bacillus
anthracis) 		4 / 7 TYR A 124
ALA A  62
TYR A  61
GLU A  95
 MES  A 400 (-3.6A)
None
MES  A 400 (-4.0A)
MES  A 400 (-3.5A)
 0.76A 1dmaA-3hmcA:
undetectable		 1dmaA-3hmcA:
24.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DRA_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ILE A  13
ALA A  15
ILE A 121
LEU A 128
ILE A 173
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
 0.74A 1draA-2blbA:
19.5		 1draA-2blbA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DRA_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
SER A 120
LEU A 128
ARG A 131
ILE A 173
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
NDP  A1239 (-3.6A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 ( 3.8A)
None
 0.64A 1draA-2blbA:
19.5		 1draA-2blbA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DRA_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
ILE A 121
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.66A 1draB-2blbA:
19.8		 1draB-2blbA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DRA_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
LEU A 128
ARG A 131
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.40A 1draB-2blbA:
19.8		 1draB-2blbA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DRB_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
ILE A 121
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.72A 1drbA-2blbA:
19.4		 1drbA-2blbA:
25.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DRB_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
SER A 120
LEU A 128
ARG A 131
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
NDP  A1239 (-3.6A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.66A 1drbA-2blbA:
19.4		 1drbA-2blbA:
25.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DRB_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
ILE A 121
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.69A 1drbB-2blbA:
19.9		 1drbB-2blbA:
25.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DRB_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
PHE A  57
LEU A 128
ARG A 131
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.39A 1drbB-2blbA:
19.9		 1drbB-2blbA:
25.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DRE_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ALA A  15
ASP A  53
PHE A  57
SER A 120
LEU A 128
ARG A 131
TYR A 179
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-3.6A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.50A 1dreA-2blbA:
20.2		 1dreA-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DRE_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ALA A  15
ASP A  53
SER A 120
ILE A 121
LEU A 128
ARG A 131
TYR A 179
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.80A 1dreA-2blbA:
20.2		 1dreA-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DRE_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		5 / 12 ASP A  53
PHE A  57
SER A 117
LEU A 128
ARG A 131
 CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-2.9A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
 0.89A 1dreA-2blbA:
20.2		 1dreA-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DRF_A_FOLA187_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
LEU A  45
PHE A  57
SER A 120
ILE A 121
LEU A 128
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
 0.61A 1drfA-2blbA:
22.1		 1drfA-2blbA:
29.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DRF_A_FOLA187_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
LEU A  45
SER A 120
ILE A 121
PRO A 122
LEU A 128
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
None
MES  A1241 (-4.5A)
None
 0.67A 1drfA-2blbA:
22.1		 1drfA-2blbA:
29.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DRF_A_FOLA187_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ILE A  13
ALA A  15
PHE A  57
SER A 117
ILE A 121
LEU A 128
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-2.9A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
 1.35A 1drfA-2blbA:
22.1		 1drfA-2blbA:
29.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DYI_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
ASP A  53
ILE A 121
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.66A 1dyiA-2blbA:
19.4		 1dyiA-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DYI_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
ASP A  53
PHE A  57
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.34A 1dyiA-2blbA:
19.4		 1dyiA-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DYI_B_FOLB161_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
ASP A  53
PHE A  57
ILE A 121
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.59A 1dyiB-2blbA:
19.7		 1dyiB-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DYR_A_TOPA407_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		9 / 11 ILE A  13
ALA A  15
LEU A  45
PHE A  57
ILE A 121
PRO A 122
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
None
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.64A 1dyrA-2blbA:
21.0		 1dyrA-2blbA:
28.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DZ6_A_CAMA502_0
(CYTOCHROME P450-CAM)		 1wk4 TTK003001606
(Thermus
thermophilus) 		4 / 5 PHE A 139
TYR A 140
LEU A  91
VAL A  96
 MES  A 201 ( 4.3A)
None
None
MES  A 201 ( 4.4A)
 1.20A 1dz6A-1wk4A:
0.0		 1dz6A-1wk4A:
18.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E7C_A_HLTA4007_1
(SERUM ALBUMIN)		 2exh BETA-D-XYLOSIDASE
(Geobacillus
stearothermophil
us) 		4 / 8 HIS A 341
ASN A 340
ASP A 327
LEU A  51
 MES  A2005 (-3.9A)
None
None
MES  A2005 ( 4.7A)
 0.95A 1e7cA-2exhA:
undetectable		 1e7cA-2exhA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EI6_A_PPFA410_1
(PHOSPHONOACETATE
HYDROLASE)		 2zm2 6-AMINOHEXANOATE-DIM
ER HYDROLASE
(Flavobacterium
sp.) 		4 / 5 THR A 197
ASP A 221
HIS A 266
HIS A 180
 None
None
MES  A 504 (-4.0A)
MES  A 504 (-4.2A)
 1.01A 1ei6A-2zm2A:
undetectable		 1ei6A-2zm2A:
23.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EI6_D_PPFD412_1
(PHOSPHONOACETATE
HYDROLASE)		 2zm2 6-AMINOHEXANOATE-DIM
ER HYDROLASE
(Flavobacterium
sp.) 		4 / 8 THR A 197
ASP A 221
HIS A 266
HIS A 180
 None
None
MES  A 504 (-4.0A)
MES  A 504 (-4.2A)
 0.99A 1ei6D-2zm2A:
undetectable		 1ei6D-2zm2A:
23.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FDU_D_ESTD352_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE)		 6anv ANTI-CRISPR PROTEIN
ACRF1 FUSED WITH
C-TERMINAL MBP TAG
(Escherichia
coli;
Pseudomonas
phage
JBD30) 		4 / 6 SER A  38
VAL A  39
GLY A  40
GLU A  66
 None
None
MES  A 502 (-3.4A)
None
 0.86A 1fduD-6anvA:
undetectable		 1fduD-6anvA:
19.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1GHM_A_CEDA1_1
(BETA-LACTAMASE)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		7 / 12 ALA A  69
SER A  70
LYS A  73
SER A 130
ASN A 132
LYS A 234
GLY A 236
 None
MES  A1000 (-3.1A)
None
MES  A1000 (-2.7A)
None
MES  A1000 (-2.9A)
MES  A1000 (-3.1A)
 0.39A 1ghmA-1hzoA:
38.3		 1ghmA-1hzoA:
33.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HRK_A_CHDA1501_0
(FERROCHELATASE)		 3l6a EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4
GAMMA 2
(Homo
sapiens) 		5 / 12 LEU A  89
LEU A 128
ILE A  49
VAL A 162
VAL A 119
 None
None
None
MES  A 361 (-3.6A)
None
 1.15A 1hrkA-3l6aA:
undetectable		 1hrkA-3l6aA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HRK_B_CHDB2501_0
(FERROCHELATASE)		 3l6a EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4
GAMMA 2
(Homo
sapiens) 		5 / 12 LEU A  89
LEU A 128
ILE A  49
VAL A 162
VAL A 119
 None
None
None
MES  A 361 (-3.6A)
None
 1.13A 1hrkB-3l6aA:
undetectable		 1hrkB-3l6aA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWI_B_115B1_1
(HMG-COA REDUCTASE)		 2z0j PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA1438
(Thermus
thermophilus) 		5 / 9 GLU A  64
LEU A  48
ALA A  51
LEU A  52
LEU A  61
 MES  A 301 (-3.4A)
None
None
None
None
 1.23A 1hwiA-2z0jA:
undetectable		 1hwiA-2z0jA:
20.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I2W_A_CFXA1300_1
(BETA-LACTAMASE)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		9 / 12 ALA A  69
SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
THR A 216
LYS A 234
GLY A 236
 None
MES  A1000 (-3.1A)
None
MES  A1000 (-2.7A)
None
None
MES  A1000 (-3.7A)
MES  A1000 (-2.9A)
MES  A1000 (-3.1A)
 0.49A 1i2wA-1hzoA:
41.6		 1i2wA-1hzoA:
43.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1I2W_A_CFXA1300_1
(BETA-LACTAMASE)		 2v2f PENICILLIN BINDING
PROTEIN 1A
(Streptococcus
pneumoniae) 		6 / 12 LYS F 373
SER F 428
ASN F 430
THR F 543
LYS F 557
GLY F 559
 None
MES  F1653 (-3.1A)
None
MES  F1653 (-3.7A)
MES  F1653 ( 4.0A)
MES  F1653 (-3.6A)
 0.74A 1i2wA-2v2fF:
17.1		 1i2wA-2v2fF:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1I2W_A_CFXA1300_1
(BETA-LACTAMASE)		 2v2f PENICILLIN BINDING
PROTEIN 1A
(Streptococcus
pneumoniae) 		6 / 12 SER F 370
SER F 428
ASN F 430
THR F 543
LYS F 557
GLY F 559
 MES  F1653 (-2.7A)
MES  F1653 (-3.1A)
None
MES  F1653 (-3.7A)
MES  F1653 ( 4.0A)
MES  F1653 (-3.6A)
 0.79A 1i2wA-2v2fF:
17.1		 1i2wA-2v2fF:
21.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I2W_A_CFXA1300_2
(BETA-LACTAMASE)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		4 / 5 TYR A 105
PRO A 167
LEU A 169
THR A 235
 MES  A1000 (-3.9A)
None
None
MES  A1000 (-3.7A)
 0.57A 1i2wA-1hzoA:
41.6		 1i2wA-1hzoA:
43.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I2W_B_CFXB2300_1
(BETA-LACTAMASE)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		8 / 12 ALA A  69
SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
THR A 216
GLY A 236
 None
MES  A1000 (-3.1A)
None
MES  A1000 (-2.7A)
None
None
MES  A1000 (-3.7A)
MES  A1000 (-3.1A)
 0.49A 1i2wB-1hzoA:
41.7		 1i2wB-1hzoA:
43.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IBG_H_OBNH1_2
(IGG2B-KAPPA 40-50
FAB (HEAVY CHAIN)
IGG2B-KAPPA 40-50
FAB (LIGHT CHAIN))		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		4 / 7 THR A 244
SER A 237
TYR A  39
LEU A  36
 None
MES  A1000 (-2.7A)
None
None
 1.16A 1ibgL-1hzoA:
0.0		 1ibgL-1hzoA:
23.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IEP_B_STIB202_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)		 5uuu BETA-ADRENERGIC
RECEPTOR KINASE 1
(Homo
sapiens) 		4 / 7 VAL A 255
MET A 274
ARG A 316
LEU A 324
 None
MES  A 604 (-3.9A)
None
None
 0.88A 1iepB-5uuuA:
21.1		 1iepB-5uuuA:
20.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1J3J_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 10 ALA A  15
ASP A  53
PHE A  57
SER A 117
ILE A 121
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-2.9A)
MES  A1241 ( 4.1A)
CP7  A1240 (-4.1A)
 1.37A 1j3jA-2blbA:
31.5		 1j3jA-2blbA:
54.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1J3J_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		9 / 10 ILE A  13
ALA A  15
ASP A  53
PHE A  57
SER A 120
ILE A 121
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.33A 1j3jA-2blbA:
31.5		 1j3jA-2blbA:
54.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1J3J_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6ffh METABOTROPIC
GLUTAMATE RECEPTOR
5,ENDOLYSIN
(Escherichia
virus
T4;
Homo
sapiens) 		5 / 10 ILE A 636
ALA A 579
ASP A 577
SER A1795
ILE A1799
 OLA  A4004 (-4.6A)
None
None
None
MES  A4005 (-4.1A)
 1.06A 1j3jA-6ffhA:
undetectable		 1j3jA-6ffhA:
14.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1J3J_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 9 ALA A  15
ASP A  53
PHE A  57
SER A 120
ILE A 121
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.35A 1j3jB-2blbA:
14.7		 1j3jB-2blbA:
54.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JB0_B_PQNB2002_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 3iwr CHITINASE
(Oryza
sativa) 		5 / 11 PHE A 121
ILE A 204
ALA A 241
LEU A 242
ALA A 124
 None
MES  A   1 (-4.6A)
None
None
None
 1.10A 1jb0B-3iwrA:
undetectable		 1jb0B-3iwrA:
17.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JOL_A_FFOA161_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ALA A  15
ASP A  53
ILE A 121
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.76A 1jolA-2blbA:
19.3		 1jolA-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JOL_A_FFOA161_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
ASP A  53
PHE A  57
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.38A 1jolA-2blbA:
19.3		 1jolA-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JOL_B_FFOB361_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		9 / 12 ILE A  13
ALA A  15
ASP A  53
PHE A  57
ILE A 121
LEU A 128
PRO A 129
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
None
CP7  A1240 (-4.1A)
 0.73A 1jolB-2blbA:
19.7		 1jolB-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JOM_A_FFOA161_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 11 ALA A  15
ASP A  53
PHE A  57
ILE A 121
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.63A 1jomA-2blbA:
18.9		 1jomA-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JTV_A_TESA500_1
(17
BETA-HYDROXYSTEROID
DEHYDROGENASE TYPE 1)		 3n71 HISTONE LYSINE
METHYLTRANSFERASE
SMYD1
(Mus
musculus) 		4 / 8 VAL A 127
TYR A 169
HIS A 172
VAL A 176
 None
MES  A 492 (-3.9A)
None
None
 0.94A 1jtvA-3n71A:
undetectable		 1jtvA-3n71A:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MMW_A_H4BA1760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 2v2f PENICILLIN BINDING
PROTEIN 1A
(Streptococcus
pneumoniae) 		4 / 7 MET F 583
ARG F 366
VAL F 329
GLU F 582
 None
None
None
MES  F1653 (-3.5A)
 1.39A 1mmwA-2v2fF:
undetectable
1mmwB-2v2fF:
undetectable		 1mmwA-2v2fF:
23.49
1mmwB-2v2fF:
23.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MOG_A_RBFA200_1
(DODECIN)		 2fk6 RIBONUCLEASE Z
(Bacillus
subtilis) 		3 / 3 PHE A 131
TRP A  34
GLU A  57
 None
None
MES  A 801 (-4.3A)
 1.18A 1mogA-2fk6A:
undetectable		 1mogA-2fk6A:
12.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N13_B_AG2B7011_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN)		 4mqb THYMIDYLATE KINASE
(Staphylococcus
aureus) 		4 / 5 GLU A  37
ARG A 177
ASP A  95
LEU A  98
 MES  A 301 (-4.4A)
None
None
None
 1.13A 1n13B-4mqbA:
undetectable
1n13C-4mqbA:
undetectable		 1n13B-4mqbA:
20.66
1n13C-4mqbA:
13.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N13_D_AG2D7015_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN)		 2zm2 6-AMINOHEXANOATE-DIM
ER HYDROLASE
(Flavobacterium
sp.) 		5 / 7 LEU A  70
ARG A  76
ASP A 384
LEU A 383
GLY A 380
 MES  A 503 (-3.4A)
MES  A 503 (-3.9A)
MES  A 503 ( 3.9A)
GOL  A 507 ( 4.7A)
None
 1.46A 1n13D-2zm2A:
undetectable
1n13E-2zm2A:
undetectable		 1n13D-2zm2A:
12.81
1n13E-2zm2A:
9.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1O76_B_CAMB1420_0
(CYTOCHROME P450-CAM)		 1wk4 TTK003001606
(Thermus
thermophilus) 		4 / 8 PHE A 139
TYR A 140
LEU A  91
VAL A  96
 MES  A 201 ( 4.3A)
None
None
MES  A 201 ( 4.4A)
 1.15A 1o76B-1wk4A:
undetectable		 1o76B-1wk4A:
18.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OE1_A_CUA502_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 5b8i SERINE/THREONINE-PRO
TEIN PHOSPHATASE
(Coccidioides
immitis) 		3 / 3 ASP A 136
HIS A 169
HIS A 110
 ZN  A 401 (-2.7A)
MES  A 403 (-3.8A)
FE  A 402 ( 3.3A)
 0.60A 1oe1A-5b8iA:
undetectable		 1oe1A-5b8iA:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OE3_A_CUA502_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 5b8i SERINE/THREONINE-PRO
TEIN PHOSPHATASE
(Coccidioides
immitis) 		3 / 3 ASP A 136
HIS A 169
HIS A 110
 ZN  A 401 (-2.7A)
MES  A 403 (-3.8A)
FE  A 402 ( 3.3A)
 0.59A 1oe3A-5b8iA:
undetectable		 1oe3A-5b8iA:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P7L_C_SAMC685_0
(S-ADENOSYLMETHIONINE
SYNTHETASE)		 2zm2 6-AMINOHEXANOATE-DIM
ER HYDROLASE
(Flavobacterium
sp.) 		4 / 8 HIS A 266
ASP A 221
THR A 260
PHE A 262
 MES  A 504 (-4.0A)
None
None
None
 1.16A 1p7lC-2zm2A:
undetectable		 1p7lC-2zm2A:
24.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P7L_C_SAMC885_1
(S-ADENOSYLMETHIONINE
SYNTHETASE)		 2zm2 6-AMINOHEXANOATE-DIM
ER HYDROLASE
(Flavobacterium
sp.) 		4 / 8 HIS A 266
ASP A 221
THR A 260
PHE A 262
 MES  A 504 (-4.0A)
None
None
None
 1.15A 1p7lD-2zm2A:
undetectable		 1p7lD-2zm2A:
24.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q13_A_TESA501_1
(PROSTAGLANDIN-E2
9-REDUCTASE)		 3otl PUTATIVE
UNCHARACTERIZED
PROTEIN
(Rhizobium
leguminosarum) 		4 / 6 TYR A  90
TYR A  73
GLU A 121
VAL A 106
 None
MES  A 159 ( 4.9A)
None
None
 0.91A 1q13A-3otlA:
undetectable		 1q13A-3otlA:
18.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QWC_A_H4BA901_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 1fzq ADP-RIBOSYLATION
FACTOR-LIKE PROTEIN
3
(Mus
musculus) 		3 / 3 ARG A 149
VAL A 152
TRP A 153
 None
MES  A 201 (-3.8A)
MES  A 201 (-4.1A)
 1.21A 1qwcA-1fzqA:
0.0		 1qwcA-1fzqA:
17.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QZF_A_FOLA605_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		9 / 12 ALA A  15
LEU A  45
ASP A  53
SER A  58
ILE A 121
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.61A 1qzfA-2blbA:
21.5		 1qzfA-2blbA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QZF_B_FOLB609_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		9 / 12 ALA A  15
LEU A  45
ASP A  53
SER A  58
ILE A 121
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.61A 1qzfB-2blbA:
21.6		 1qzfB-2blbA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QZF_C_FOLC613_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		9 / 12 ALA A  15
LEU A  45
ASP A  53
SER A  58
ILE A 121
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.61A 1qzfC-2blbA:
21.5		 1qzfC-2blbA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QZF_D_FOLD617_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		9 / 12 ALA A  15
LEU A  45
ASP A  53
SER A  58
ILE A 121
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.63A 1qzfD-2blbA:
11.7		 1qzfD-2blbA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QZF_E_FOLE621_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		9 / 12 ALA A  15
LEU A  45
ASP A  53
SER A  58
ILE A 121
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.61A 1qzfE-2blbA:
11.8		 1qzfE-2blbA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RA2_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		9 / 12 ILE A  13
ALA A  15
ASP A  53
PHE A  57
ILE A 121
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.63A 1ra2A-2blbA:
19.5		 1ra2A-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RA3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
ASP A  53
ILE A 121
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.67A 1ra3A-2blbA:
19.5		 1ra3A-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RA3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
ASP A  53
LEU A 128
ARG A 131
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.34A 1ra3A-2blbA:
19.5		 1ra3A-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RA8_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
PHE A  57
ILE A 121
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.66A 1ra8A-2blbA:
19.5		 1ra8A-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RB2_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		9 / 12 ILE A  13
ALA A  15
ASP A  53
PHE A  57
ILE A 121
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.64A 1rb2A-2blbA:
19.6		 1rb2A-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RB2_B_FOLB161_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		9 / 12 ILE A  13
ALA A  15
ASP A  53
PHE A  57
LEU A 128
ARG A 131
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.37A 1rb2B-2blbA:
19.7		 1rb2B-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RB3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 10 ILE A  13
ALA A  15
ASP A  53
ILE A 121
ARG A 131
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-2.7A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.65A 1rb3A-2blbA:
19.8		 1rb3A-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RB3_B_MTXB161_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		10 / 12 ILE A  13
ALA A  15
ASP A  53
SER A 120
ILE A 121
LEU A 128
ARG A 131
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.71A 1rb3B-2blbA:
19.8		 1rb3B-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RD7_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
PHE A  57
ILE A 121
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.64A 1rd7A-2blbA:
19.4		 1rd7A-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RD7_B_FOLB361_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
ASP A  53
ILE A 121
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.66A 1rd7B-2blbA:
19.2		 1rd7B-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RE7_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
ASP A  53
PHE A  57
ILE A 121
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.61A 1re7A-2blbA:
19.6		 1re7A-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RE7_B_FOLB361_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ALA A  15
ASP A  53
ILE A 121
LEU A 128
PRO A 129
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.75A 1re7B-2blbA:
19.4		 1re7B-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RE7_B_FOLB361_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		9 / 12 ILE A  13
ALA A  15
ASP A  53
PHE A  57
LEU A 128
PRO A 129
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
MES  A1241 (-4.5A)
None
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.49A 1re7B-2blbA:
19.4		 1re7B-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RG7_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ALA A  15
ASP A  53
SER A 120
ILE A 121
LEU A 128
TYR A 179
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
 0.86A 1rg7A-2blbA:
18.4		 1rg7A-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RG7_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ALA A  15
ASP A  53
SER A 120
LEU A 128
ARG A 131
TYR A 179
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
NDP  A1239 (-3.6A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.59A 1rg7A-2blbA:
18.4		 1rg7A-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RG9_A_SAMA385_0
(S-ADENOSYLMETHIONINE
SYNTHETASE)		 2zm2 6-AMINOHEXANOATE-DIM
ER HYDROLASE
(Flavobacterium
sp.) 		4 / 8 HIS A 266
ASP A 221
THR A 260
PHE A 262
 MES  A 504 (-4.0A)
None
None
None
 1.16A 1rg9A-2zm2A:
undetectable		 1rg9A-2zm2A:
24.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RG9_B_SAMB485_1
(S-ADENOSYLMETHIONINE
SYNTHETASE)		 2zm2 6-AMINOHEXANOATE-DIM
ER HYDROLASE
(Flavobacterium
sp.) 		4 / 8 HIS A 266
ASP A 221
THR A 260
PHE A 262
 MES  A 504 (-4.0A)
None
None
None
 1.14A 1rg9B-2zm2A:
undetectable		 1rg9B-2zm2A:
24.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RG9_C_SAMC585_0
(S-ADENOSYLMETHIONINE
SYNTHETASE)		 2zm2 6-AMINOHEXANOATE-DIM
ER HYDROLASE
(Flavobacterium
sp.) 		4 / 8 HIS A 266
ASP A 221
THR A 260
PHE A 262
 MES  A 504 (-4.0A)
None
None
None
 1.16A 1rg9C-2zm2A:
undetectable		 1rg9C-2zm2A:
24.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RG9_C_SAMC685_1
(S-ADENOSYLMETHIONINE
SYNTHETASE)		 2zm2 6-AMINOHEXANOATE-DIM
ER HYDROLASE
(Flavobacterium
sp.) 		4 / 8 HIS A 266
ASP A 221
THR A 260
PHE A 262
 MES  A 504 (-4.0A)
None
None
None
 1.14A 1rg9D-2zm2A:
undetectable		 1rg9D-2zm2A:
24.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RH3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		5 / 12 ASP A  53
PHE A  57
SER A 117
LEU A 128
ARG A 131
 CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-2.9A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
 0.87A 1rh3A-2blbA:
20.2		 1rh3A-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RH3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ASP A  53
PHE A  57
SER A 120
LEU A 128
ARG A 131
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-3.6A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.43A 1rh3A-2blbA:
20.2		 1rh3A-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RH3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ASP A  53
SER A 120
ILE A 121
LEU A 128
ARG A 131
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.76A 1rh3A-2blbA:
20.2		 1rh3A-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RI4_A_SAMA299_0
(MRNA CAPPING ENZYME)		 2v84 SPERMIDINE/PUTRESCIN
E ABC TRANSPORTER,
PERIPLASMIC BINDING
PROTEIN
(Treponema
pallidum) 		5 / 12 LYS A 305
GLY A 115
GLY A 208
ASP A 226
TYR A 294
 MES  A1326 (-2.9A)
None
None
None
None
 1.20A 1ri4A-2v84A:
undetectable		 1ri4A-2v84A:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RJD_A_SAMA801_1
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)		 5jip CORTICAL-LYTIC
ENZYME
(Clostridium
perfringens) 		4 / 6 ASP A 113
TYR A 149
ASN A 220
GLU A  21
 MES  A 401 (-2.8A)
MES  A 401 ( 2.6A)
None
None
 1.10A 1rjdA-5jipA:
undetectable		 1rjdA-5jipA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RJD_B_SAMB802_1
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)		 5jip CORTICAL-LYTIC
ENZYME
(Clostridium
perfringens) 		4 / 6 ASP A 113
TYR A 149
ASN A 220
GLU A  21
 MES  A 401 (-2.8A)
MES  A 401 ( 2.6A)
None
None
 1.11A 1rjdB-5jipA:
undetectable		 1rjdB-5jipA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RJD_C_SAMC803_1
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)		 5jip CORTICAL-LYTIC
ENZYME
(Clostridium
perfringens) 		4 / 6 ASP A 113
TYR A 149
ASN A 220
GLU A  21
 MES  A 401 (-2.8A)
MES  A 401 ( 2.6A)
None
None
 1.10A 1rjdC-5jipA:
undetectable		 1rjdC-5jipA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RMT_D_ADND1504_1
(CLASS B ACID
PHOSPHATASE)		 2zm2 6-AMINOHEXANOATE-DIM
ER HYDROLASE
(Flavobacterium
sp.) 		4 / 8 PHE A  85
LEU A  73
ASP A 384
THR A  82
 None
None
MES  A 503 ( 3.9A)
None
 1.12A 1rmtD-2zm2A:
undetectable		 1rmtD-2zm2A:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RX2_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
PHE A  57
ILE A 121
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.64A 1rx2A-2blbA:
20.7		 1rx2A-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RX3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		9 / 12 ILE A  13
ALA A  15
ASP A  53
PHE A  57
SER A 120
ILE A 121
LEU A 128
ARG A 131
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.63A 1rx3A-2blbA:
20.8		 1rx3A-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RX7_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		9 / 12 ILE A  13
ALA A  15
ASP A  53
PHE A  57
ILE A 121
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.53A 1rx7A-2blbA:
19.0		 1rx7A-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RX8_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
PHE A  57
ILE A 121
LEU A 128
PRO A 129
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
None
CP7  A1240 (-4.1A)
 0.67A 1rx8A-2blbA:
20.4		 1rx8A-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T88_B_CAMB2422_0
(CYTOCHROME P450-CAM)		 1wk4 TTK003001606
(Thermus
thermophilus) 		4 / 5 PHE A 139
TYR A 140
LEU A  91
VAL A  96
 MES  A 201 ( 4.3A)
None
None
MES  A 201 ( 4.4A)
 1.20A 1t88B-1wk4A:
0.0		 1t88B-1wk4A:
18.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TDR_A_MTXA170_1
(TELLUROMETHIONYL
DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ILE A  13
ALA A  15
ASP A  53
ILE A 121
LEU A 128
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
 0.76A 1tdrA-2blbA:
19.4		 1tdrA-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TDR_A_MTXA170_1
(TELLUROMETHIONYL
DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
ASP A  53
PHE A  57
LEU A 128
ARG A 131
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.41A 1tdrA-2blbA:
19.4		 1tdrA-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TDR_B_MTXB170_1
(TELLUROMETHIONYL
DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 10 ALA A  15
ASP A  53
ILE A 121
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.76A 1tdrB-2blbA:
19.8		 1tdrB-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TDR_B_MTXB170_1
(TELLUROMETHIONYL
DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 10 ALA A  15
ASP A  53
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.35A 1tdrB-2blbA:
19.8		 1tdrB-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1U70_A_MTXA187_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ILE A  13
ALA A  15
PRO A 122
LEU A 128
ARG A 131
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
None
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.55A 1u70A-2blbA:
22.1		 1u70A-2blbA:
29.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1U72_A_MTXA188_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ALA A  15
LEU A  45
SER A 120
PRO A 122
LEU A 128
ARG A 131
TYR A 179
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
NDP  A1239 (-3.6A)
None
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.65A 1u72A-2blbA:
22.2		 1u72A-2blbA:
29.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UYU_A_CAMA1416_0
(CYTOCHROME P450-CAM)		 1wk4 TTK003001606
(Thermus
thermophilus) 		4 / 8 PHE A 139
TYR A 140
LEU A  91
VAL A  96
 MES  A 201 ( 4.3A)
None
None
MES  A 201 ( 4.4A)
 1.19A 1uyuA-1wk4A:
undetectable		 1uyuA-1wk4A:
18.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UYU_B_CAMB1416_0
(CYTOCHROME P450-CAM)		 1wk4 TTK003001606
(Thermus
thermophilus) 		4 / 8 PHE A 139
TYR A 140
LEU A  91
VAL A  96
 MES  A 201 ( 4.3A)
None
None
MES  A 201 ( 4.4A)
 1.15A 1uyuB-1wk4A:
0.0		 1uyuB-1wk4A:
18.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VE3_A_SAMA302_0
(HYPOTHETICAL PROTEIN
PH0226)		 2zm2 6-AMINOHEXANOATE-DIM
ER HYDROLASE
(Flavobacterium
sp.) 		5 / 12 ALA A 265
GLY A 267
SER A 217
ALA A 224
PHE A 262
 None
MES  A 504 (-3.3A)
MES  A 504 ( 2.7A)
None
None
 1.12A 1ve3A-2zm2A:
undetectable		 1ve3A-2zm2A:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VM1_A_TAZA504_1
(BETA-LACTAMASE SHV-1)		 2v84 SPERMIDINE/PUTRESCIN
E ABC TRANSPORTER,
PERIPLASMIC BINDING
PROTEIN
(Treponema
pallidum) 		3 / 3 ASP A 240
TYR A 110
GLU A 211
 MES  A1326 (-3.2A)
None
None
 0.86A 1vm1A-2v84A:
undetectable		 1vm1A-2v84A:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VPO_H_TESH1010_1
(ANTI-TESTOSTERONE
(HEAVY CHAIN)
ANTI-TESTOSTERONE
(LIGHT CHAIN))		 4lih GAMMA-GLUTAMYL-GAMMA
-AMINOBUTYRALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		5 / 12 SER A 271
ALA A 447
GLY A 448
LEU A 426
PHE A 465
 None
None
None
None
MES  A 501 ( 4.9A)
 1.32A 1vpoH-4lihA:
undetectable
1vpoL-4lihA:
undetectable		 1vpoH-4lihA:
17.30
1vpoL-4lihA:
18.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WG8_A_SAMA3142_0
(PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 1wrm DUAL SPECIFICITY
PHOSPHATASE 22
(Homo
sapiens) 		5 / 12 GLY A  91
GLY A  15
GLN A  61
ASP A  57
SER A  93
 MES  A 164 (-4.1A)
None
None
MES  A 164 (-3.6A)
MES  A 164 (-4.2A)
 1.14A 1wg8A-1wrmA:
undetectable		 1wg8A-1wrmA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WG8_A_SAMA3142_0
(PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 3m5u PHOSPHOSERINE
AMINOTRANSFERASE
(Campylobacter
jejuni) 		5 / 12 GLY A  74
GLY A 197
ASP A 167
PHE A 202
SER A 169
 MES  A 362 (-3.4A)
None
MES  A 362 (-3.1A)
None
MES  A 362 (-3.2A)
 1.23A 1wg8A-3m5uA:
undetectable		 1wg8A-3m5uA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X70_B_715B801_1
(DIPEPTIDYL PEPTIDASE
IV)		 3tt2 GCN5-RELATED
N-ACETYLTRANSFERASE
(Sphaerobacter
thermophilus) 		5 / 12 GLU A 239
ARG A  47
VAL A 268
TYR A 272
VAL A 271
 MES  A 343 ( 4.3A)
None
None
None
None
 1.44A 1x70B-3tt2A:
undetectable		 1x70B-3tt2A:
17.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XDK_A_9CRA500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3l6a EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4
GAMMA 2
(Homo
sapiens) 		5 / 12 ALA A 111
GLN A 143
LEU A 144
VAL A 162
LEU A 128
 None
None
None
MES  A 361 (-3.6A)
None
 1.03A 1xdkA-3l6aA:
undetectable		 1xdkA-3l6aA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XDK_E_9CRE1500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3l6a EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4
GAMMA 2
(Homo
sapiens) 		5 / 12 ALA A 111
GLN A 143
LEU A 144
VAL A 162
LEU A 128
 None
None
None
MES  A 361 (-3.6A)
None
 1.03A 1xdkE-3l6aA:
undetectable		 1xdkE-3l6aA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XVA_A_SAMA293_0
(GLYCINE
N-METHYLTRANSFERASE)		 4la2 DIMETHYLSULPHONIOPRO
PIONATE (DMSP) LYASE
DDDQ
(Ruegeria
lacuscaerulensis) 		5 / 12 TYR A  77
THR A  76
HIS A 125
GLY A  91
TYR A 120
 None
None
ZN  A 201 ( 3.4A)
None
MES  A 202 (-4.5A)
 1.42A 1xvaA-4la2A:
undetectable		 1xvaA-4la2A:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YMX_A_CFXA1001_1
(BETA-LACTAMASE
CTX-M-9)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		11 / 12 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
ASN A 170
THR A 216
LYS A 234
GLY A 236
GLY A 238
ASP A 240
 MES  A1000 (-3.1A)
None
MES  A1000 (-2.7A)
None
None
None
MES  A1000 (-3.7A)
MES  A1000 (-2.9A)
MES  A1000 (-3.1A)
None
None
 0.51A 1ymxA-1hzoA:
46.6		 1ymxA-1hzoA:
65.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YMX_A_CFXA1001_1
(BETA-LACTAMASE
CTX-M-9)		 2v2f PENICILLIN BINDING
PROTEIN 1A
(Streptococcus
pneumoniae) 		6 / 12 SER F 370
SER F 428
ASN F 430
THR F 543
LYS F 557
GLY F 559
 MES  F1653 (-2.7A)
MES  F1653 (-3.1A)
None
MES  F1653 (-3.7A)
MES  F1653 ( 4.0A)
MES  F1653 (-3.6A)
 0.78A 1ymxA-2v2fF:
17.7		 1ymxA-2v2fF:
24.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YMX_B_CFXB1002_1
(BETA-LACTAMASE
CTX-M-9)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		11 / 12 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
ASN A 170
LYS A 234
GLY A 236
SER A 237
GLY A 238
ASP A 240
 MES  A1000 (-3.1A)
None
MES  A1000 (-2.7A)
None
None
None
MES  A1000 (-2.9A)
MES  A1000 (-3.1A)
MES  A1000 (-2.7A)
None
None
 0.58A 1ymxB-1hzoA:
46.7		 1ymxB-1hzoA:
65.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YMX_B_CFXB1002_2
(BETA-LACTAMASE
CTX-M-9)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		4 / 5 TYR A 105
PRO A 167
THR A 216
THR A 235
 MES  A1000 (-3.9A)
None
MES  A1000 (-3.7A)
MES  A1000 (-3.7A)
 0.24A 1ymxB-1hzoA:
46.7		 1ymxB-1hzoA:
65.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YVP_A_ACTA2001_0
(60-KDA SS-A/RO
RIBONUCLEOPROTEIN)		 3m5u PHOSPHOSERINE
AMINOTRANSFERASE
(Campylobacter
jejuni) 		4 / 5 TYR A 335
SER A 333
THR A 148
ASN A 146
 None
None
MES  A 362 (-3.9A)
None
 1.42A 1yvpA-3m5uA:
2.1		 1yvpA-3m5uA:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3B_B_CFFB2434_1
(CHITINASE)		 5jip CORTICAL-LYTIC
ENZYME
(Clostridium
perfringens) 		4 / 6 GLU A 115
TYR A 149
ASP A 206
ARG A 182
 MES  A 401 ( 2.7A)
MES  A 401 ( 2.6A)
None
None
 1.02A 2a3bB-5jipA:
9.8		 2a3bB-5jipA:
24.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AJV_L_COCL501_1
(ANTIBODY 7A1 FAB')		 4kpt GLUTAMINE ABC
TRANSPORTER PERMEASE
AND SUBSTRATE
BINDING PROTEIN
PROTEIN
(Lactococcus
lactis) 		4 / 7 ALA A 214
TYR A 211
TYR A  38
PHE A  76
 None
None
MES  A 301 (-3.8A)
MES  A 301 ( 3.7A)
 0.92A 2ajvH-4kptA:
undetectable
2ajvL-4kptA:
undetectable		 2ajvH-4kptA:
23.05
2ajvL-4kptA:
18.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AOU_A_CQAA403_0
(HISTAMINE
N-METHYLTRANSFERASE)		 4pmn TAT-SECRETED PROTEIN
RV2525C
(Mycobacterium
tuberculosis) 		4 / 8 ASP A  68
GLY A  78
ASP A  43
TYR A  65
 None
None
MES  A 301 ( 4.2A)
None
 0.84A 2aouA-4pmnA:
undetectable		 2aouA-4pmnA:
19.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AOU_B_CQAB401_0
(HISTAMINE
N-METHYLTRANSFERASE)		 2zm2 6-AMINOHEXANOATE-DIM
ER HYDROLASE
(Flavobacterium
sp.) 		4 / 7 TRP A 331
GLY A 342
TYR A 326
THR A 220
 MES  A 501 (-4.0A)
None
None
None
 1.16A 2aouB-2zm2A:
undetectable		 2aouB-2zm2A:
19.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BL9_A_CP6A1240_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ALA A  15
LEU A  45
ASP A  53
MET A  54
PHE A  57
SER A 120
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.6A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-3.6A)
CP7  A1240 (-4.1A)
 1.07A 2bl9A-2blbA:
36.4		 2bl9A-2blbA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BL9_A_CP6A1240_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		12 / 12 ILE A  13
ALA A  15
LEU A  45
ASP A  53
MET A  54
PHE A  57
SER A 117
SER A 120
ILE A 121
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.6A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-2.9A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.41A 2bl9A-2blbA:
36.4		 2bl9A-2blbA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BL9_A_CP6A1240_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6ffh METABOTROPIC
GLUTAMATE RECEPTOR
5,ENDOLYSIN
(Escherichia
virus
T4;
Homo
sapiens) 		5 / 12 ILE A 636
ALA A 579
ASP A 577
SER A1795
ILE A1799
 OLA  A4004 (-4.6A)
None
None
None
MES  A4005 (-4.1A)
 1.10A 2bl9A-6ffhA:
undetectable		 2bl9A-6ffhA:
16.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BLA_A_CP6A302_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		10 / 11 ILE A  13
ALA A  15
ASP A  53
MET A  54
PHE A  57
SER A 120
ILE A 121
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.6A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.75A 2blaA-2blbA:
34.6		 2blaA-2blbA:
98.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BLA_A_CP6A302_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6ffh METABOTROPIC
GLUTAMATE RECEPTOR
5,ENDOLYSIN
(Escherichia
virus
T4;
Homo
sapiens) 		5 / 11 ILE A 636
ALA A 579
ASP A 577
SER A1795
ILE A1799
 OLA  A4004 (-4.6A)
None
None
None
MES  A4005 (-4.1A)
 1.16A 2blaA-6ffhA:
undetectable		 2blaA-6ffhA:
16.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CD2_A_FOLA307_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		9 / 12 ILE A  13
ALA A  15
LEU A  45
PRO A 122
LEU A 128
ARG A 131
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
None
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.66A 2cd2A-2blbA:
21.3		 2cd2A-2blbA:
28.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CEO_B_T44B1395_1
(THYROXINE-BINDING
GLOBULIN)		 1f0p ANTIGEN 85-B
(Mycobacterium
tuberculosis) 		5 / 10 ALA A 121
GLN A 270
LEU A 149
LEU A 278
ARG A 206
 None
None
None
None
MES  A1101 (-3.5A)
 1.36A 2ceoB-1f0pA:
0.0		 2ceoB-1f0pA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2D0K_A_FOLA1161_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		10 / 12 ILE A  13
ALA A  15
PHE A  57
ILE A 121
LEU A 128
PRO A 129
ARG A 131
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
MES  A1241 (-2.7A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.61A 2d0kA-2blbA:
19.0		 2d0kA-2blbA:
24.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2D0K_B_FOLB2161_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		9 / 12 ILE A  13
ALA A  15
PHE A  57
ILE A 121
LEU A 128
ARG A 131
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.58A 2d0kB-2blbA:
19.3		 2d0kB-2blbA:
24.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2DCF_A_ACAA501_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 2zm2 6-AMINOHEXANOATE-DIM
ER HYDROLASE
(Flavobacterium
sp.) 		4 / 6 TYR A 215
TRP A 331
ILE A 343
ILE A 345
 GOL  A 505 ( 4.4A)
MES  A 501 (-4.0A)
MES  A 501 (-4.2A)
MES  A 504 ( 3.7A)
 0.22A 2dcfA-2zm2A:
67.4		 2dcfA-2zm2A:
97.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2DCF_A_ACAA502_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 2zm2 6-AMINOHEXANOATE-DIM
ER HYDROLASE
(Flavobacterium
sp.) 		7 / 12 MET A 111
VAL A 177
TRP A 186
TYR A 215
SER A 217
GLY A 344
ILE A 345
 MES  A 504 (-3.8A)
MES  A 504 (-4.4A)
MES  A 504 (-4.0A)
GOL  A 505 ( 4.4A)
MES  A 504 ( 2.7A)
MES  A 501 (-3.5A)
MES  A 504 ( 3.7A)
 0.46A 2dcfA-2zm2A:
67.4		 2dcfA-2zm2A:
97.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DRC_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
ASP A  53
ILE A 121
LEU A 128
ILE A 173
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
 0.69A 2drcA-2blbA:
19.5		 2drcA-2blbA:
25.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DRC_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
ASP A  53
SER A 120
LEU A 128
ARG A 131
ILE A 173
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
NDP  A1239 (-3.6A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 ( 3.8A)
None
 0.60A 2drcA-2blbA:
19.5		 2drcA-2blbA:
25.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DRC_B_MTXB161_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
ASP A  53
ILE A 121
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.63A 2drcB-2blbA:
19.8		 2drcB-2blbA:
25.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DRC_B_MTXB161_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
ASP A  53
LEU A 128
ARG A 131
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.38A 2drcB-2blbA:
19.8		 2drcB-2blbA:
25.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIN_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5m6q UNCHARACTERIZED
PROTEIN
(Kutzneria
albida) 		4 / 6 HIS A 188
ASP A  21
TYR A  22
HIS A 205
 None
PG4  A 305 (-3.6A)
None
MES  A 303 (-4.0A)
 1.27A 2einA-5m6qA:
undetectable
2einC-5m6qA:
undetectable		 2einA-5m6qA:
18.98
2einC-5m6qA:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HRC_A_CHDA701_0
(FERROCHELATASE)		 3l6a EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4
GAMMA 2
(Homo
sapiens) 		5 / 12 LEU A  89
LEU A 128
ILE A  49
VAL A 162
VAL A 119
 None
None
None
MES  A 361 (-3.6A)
None
 1.19A 2hrcA-3l6aA:
undetectable		 2hrcA-3l6aA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2I2Z_A_SALA1100_1
(SERUM ALBUMIN)		 6b4h NUCLEOPORIN GLE1
(Chaetomium
thermophilum) 		4 / 5 LEU A 259
ILE A 274
ILE A 354
ALA A 353
 None
None
None
MES  A 604 (-2.7A)
 0.78A 2i2zA-6b4hA:
undetectable		 2i2zA-6b4hA:
9.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2I30_A_SALA1200_1
(SERUM ALBUMIN)		 6b4h NUCLEOPORIN GLE1
(Chaetomium
thermophilum) 		4 / 4 LEU A 259
ILE A 274
ILE A 354
ALA A 353
 None
None
None
MES  A 604 (-2.7A)
 0.77A 2i30A-6b4hA:
2.1		 2i30A-6b4hA:
9.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IVU_A_ZD6A3015_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET
PRECURSOR)		 1z3z DIALKYLGLYCINE
DECARBOXYLASE
(Burkholderia
cepacia) 		3 / 3 ALA A 245
GLY A 140
SER A 215
 PLP  A 434 (-3.6A)
PLP  A 434 ( 3.9A)
MES  A 435 (-3.2A)
 0.56A 2ivuA-1z3zA:
undetectable		 2ivuA-1z3zA:
24.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IYF_A_ERYA1400_0
(OLEANDOMYCIN
GLYCOSYLTRANSFERASE)		 4pc4 30K LIPOPROTEIN
(Bombyx
mori) 		5 / 11 ASN A  52
VAL A  49
TYR A  64
ALA A  30
SER A  21
 MES  A 302 (-3.3A)
None
None
None
None
 1.47A 2iyfA-4pc4A:
undetectable		 2iyfA-4pc4A:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2J9C_C_ACTC1120_0
(HYPOTHETICAL
NITROGEN REGULATORY
PII-LIKE PROTEIN
MJ0059)		 3v0a NTNH
(Clostridium
botulinum) 		3 / 3 LYS B 663
TYR B 281
PRO B 280
 None
MES  B1202 ( 4.0A)
None
 1.28A 2j9cC-3v0aB:
undetectable		 2j9cC-3v0aB:
7.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2M56_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 1wk4 TTK003001606
(Thermus
thermophilus) 		4 / 5 PHE A 139
TYR A 140
LEU A  91
VAL A  96
 MES  A 201 ( 4.3A)
None
None
MES  A 201 ( 4.4A)
 1.22A 2m56A-1wk4A:
undetectable		 2m56A-1wk4A:
18.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2N27_A_4DYA205_1
(CALMODULIN)		 6eu6 AMMONIUM TRANSPORTER
(Candidatus
Kuenenia
stuttgartiensis) 		5 / 11 THR A 242
ILE A 273
MET A  23
LEU A 228
VAL A 238
 None
None
None
MES  A 502 (-4.8A)
None
 1.37A 2n27A-6eu6A:
undetectable		 2n27A-6eu6A:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NYR_B_SVRB401_2
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		 2pd0 HYPOTHETICAL PROTEIN
(Cryptosporidium
parvum) 		4 / 6 ARG A 142
ASN A  33
ASN A   6
LEU A  10
 None
None
MES  A 502 (-3.2A)
None
 1.25A 2nyrA-2pd0A:
undetectable		 2nyrA-2pd0A:
18.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NYR_B_SVRB401_2
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		 5m6q UNCHARACTERIZED
PROTEIN
(Kutzneria
albida) 		4 / 6 GLN A  78
ASN A  82
ASN A 109
LEU A 107
 None
None
MES  A 301 ( 3.8A)
None
 1.26A 2nyrA-5m6qA:
undetectable		 2nyrA-5m6qA:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NYR_B_SVRB401_4
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		 2j8k NP275-NP276
(Nostoc
punctiforme) 		4 / 5 ALA A 140
ALA A 115
ALA A  95
GLN A  99
 None
None
None
MES  A1176 (-3.3A)
 0.87A 2nyrB-2j8kA:
undetectable		 2nyrB-2j8kA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OAX_F_SNLF6001_1
(MINERALOCORTICOID
RECEPTOR)		 6bb9 4-AMINO-4-DEOXYCHORI
SMATE LYASE
(Salmonella
enterica) 		5 / 12 LEU A 238
ALA A 237
LEU A  79
LEU A  39
PHE A 204
 None
MES  A 301 (-3.3A)
None
None
None
 1.39A 2oaxF-6bb9A:
undetectable		 2oaxF-6bb9A:
23.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIP_A_MTXA605_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		9 / 12 ALA A  15
LEU A  45
ASP A  53
PHE A  57
SER A  58
ILE A 121
LEU A 128
ARG A 131
TYR A 179
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
MES  A1241 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.58A 2oipA-2blbA:
22.4		 2oipA-2blbA:
16.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIP_B_MTXB609_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ALA A  15
ASP A  53
LYS A  55
PHE A  57
SER A  58
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
None
CP7  A1240 ( 4.1A)
MES  A1241 (-3.1A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.94A 2oipB-2blbA:
20.7		 2oipB-2blbA:
16.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIP_B_MTXB609_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		9 / 12 ALA A  15
LEU A  45
ASP A  53
PHE A  57
SER A  58
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
MES  A1241 (-3.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.48A 2oipB-2blbA:
20.7		 2oipB-2blbA:
16.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIP_C_MTXC613_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		9 / 12 ALA A  15
LEU A  45
ASP A  53
PHE A  57
SER A  58
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
MES  A1241 (-3.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.51A 2oipC-2blbA:
21.9		 2oipC-2blbA:
16.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIP_D_MTXD617_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		9 / 12 ALA A  15
LEU A  45
ASP A  53
PHE A  57
SER A  58
ILE A 121
LEU A 128
ARG A 131
TYR A 179
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
MES  A1241 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.62A 2oipD-2blbA:
22.7		 2oipD-2blbA:
16.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIP_E_MTXE621_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ALA A  15
ASP A  53
LYS A  55
PHE A  57
SER A  58
ARG A 131
TYR A 179
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
None
CP7  A1240 ( 4.1A)
MES  A1241 (-3.1A)
MES  A1241 (-2.7A)
None
 1.03A 2oipE-2blbA:
21.8		 2oipE-2blbA:
16.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIP_E_MTXE621_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		9 / 12 ALA A  15
LEU A  45
ASP A  53
PHE A  57
SER A  58
ILE A 121
LEU A 128
ARG A 131
TYR A 179
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
MES  A1241 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.65A 2oipE-2blbA:
21.8		 2oipE-2blbA:
16.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PH9_A_GNTA301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 2ddt SPHINGOMYELIN
PHOSPHODIESTERASE
(Bacillus
cereus) 		4 / 7 TYR A 242
TRP A  28
GLN A 286
TYR A 290
 MES  A 313 (-4.0A)
MES  A 313 (-3.5A)
None
MES  A 313 (-4.6A)
 1.28A 2ph9A-2ddtA:
undetectable
2ph9B-2ddtA:
undetectable		 2ph9A-2ddtA:
20.75
2ph9B-2ddtA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PNJ_B_CHDB501_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3l6a EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4
GAMMA 2
(Homo
sapiens) 		5 / 12 LEU A  89
LEU A 128
ILE A  49
VAL A 162
VAL A 119
 None
None
None
MES  A 361 (-3.6A)
None
 1.16A 2pnjB-3l6aA:
undetectable		 2pnjB-3l6aA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PO5_A_CHDA501_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3l6a EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4
GAMMA 2
(Homo
sapiens) 		5 / 12 LEU A  89
LEU A 128
ILE A  49
VAL A 162
VAL A 119
 None
None
None
MES  A 361 (-3.6A)
None
 1.03A 2po5A-3l6aA:
undetectable		 2po5A-3l6aA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PO7_A_CHDA501_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3l6a EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4
GAMMA 2
(Homo
sapiens) 		5 / 12 LEU A  89
LEU A 128
ILE A  49
VAL A 162
VAL A 119
 None
None
None
MES  A 361 (-3.6A)
None
 1.14A 2po7A-3l6aA:
undetectable		 2po7A-3l6aA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QK8_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ALA A  15
ILE A 121
LEU A 128
PRO A 129
ARG A 131
TYR A 179
 CP7  A1240 (-3.7A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
MES  A1241 (-2.7A)
None
 0.94A 2qk8A-2blbA:
20.2		 2qk8A-2blbA:
25.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2RHM_D_BEZD194_0
(PUTATIVE KINASE)		 2w1k PUTATIVE SORTASE
(Streptococcus
pneumoniae) 		4 / 5 PRO A 131
ILE A 137
ARG A 222
ASP A 133
 None
None
MES  A1243 (-2.7A)
MES  A1243 (-3.3A)
 1.48A 2rhmD-2w1kA:
undetectable		 2rhmD-2w1kA:
24.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W3A_A_TOPA1190_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 11 ILE A  13
ALA A  15
PHE A  57
ILE A 121
PRO A 122
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
None
None
CP7  A1240 (-4.1A)
 0.54A 2w3aA-2blbA:
22.2		 2w3aA-2blbA:
29.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W3A_B_TOPB1189_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 10 ILE A  13
ALA A  15
PHE A  57
ILE A 121
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.48A 2w3aB-2blbA:
22.2		 2w3aB-2blbA:
29.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W3B_A_FOLA401_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		9 / 12 ILE A  13
ALA A  15
LEU A  45
PHE A  57
ILE A 121
PRO A 122
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
None
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.65A 2w3bA-2blbA:
22.1		 2w3bA-2blbA:
29.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W3B_B_FOLB401_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		9 / 12 ILE A  13
ALA A  15
LEU A  45
PHE A  57
ILE A 121
PRO A 122
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
None
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.64A 2w3bB-2blbA:
22.0		 2w3bB-2blbA:
29.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W3M_A_FOLA1188_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		9 / 12 ILE A  13
ALA A  15
LEU A  45
PHE A  57
ILE A 121
PRO A 122
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
None
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.63A 2w3mA-2blbA:
21.9		 2w3mA-2blbA:
29.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W3M_B_FOLB1188_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
LEU A  45
PHE A  57
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.37A 2w3mB-2blbA:
21.9		 2w3mB-2blbA:
29.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W98_A_P1ZA1351_1
(PROSTAGLANDIN
REDUCTASE 2)		 4bko PUTATIVE REDUCTASE
BURPS305_1051
(Burkholderia
pseudomallei) 		5 / 10 TYR A 235
ILE A 281
LEU A 181
VAL A 164
LEU A 166
 MES  A1399 (-4.8A)
None
None
None
None
 1.42A 2w98A-4bkoA:
7.0		 2w98A-4bkoA:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W9G_A_TOPA1159_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 10 ALA A  15
LEU A  45
ASP A  53
SER A 120
ILE A 121
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
CP7  A1240 (-4.1A)
 0.84A 2w9gA-2blbA:
19.7		 2w9gA-2blbA:
28.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W9H_A_TOPA1160_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 10 ALA A  15
LEU A  45
ASP A  53
SER A 120
ILE A 121
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
CP7  A1240 (-4.1A)
 0.96A 2w9hA-2blbA:
19.5		 2w9hA-2blbA:
28.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W9S_A_TOPA1160_1
(DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 11 ILE A  13
ALA A  15
LEU A  45
ASP A  53
SER A 120
ILE A 121
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
None
CP7  A1240 (-4.1A)
 0.81A 2w9sA-2blbA:
19.8		 2w9sA-2blbA:
28.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W9S_B_TOPB1160_1
(DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 11 ILE A  13
ALA A  15
LEU A  45
ASP A  53
SER A 120
ILE A 121
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
None
CP7  A1240 (-4.1A)
 0.80A 2w9sB-2blbA:
19.8		 2w9sB-2blbA:
28.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W9S_C_TOPC1160_1
(DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 10 ILE A  13
ALA A  15
LEU A  45
ASP A  53
SER A 120
ILE A 121
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
None
CP7  A1240 (-4.1A)
 0.80A 2w9sC-2blbA:
19.7		 2w9sC-2blbA:
28.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WA2_B_SAMB1267_0
(NON-STRUCTURAL
PROTEIN 5)		 3eo4 UNCHARACTERIZED
PROTEIN MJ1062
(Methanocaldococc
us
jannaschii) 		5 / 12 SER A 449
GLY A 446
GLY A 436
GLY A 417
ILE A 374
 None
MES  A   2 (-3.7A)
None
None
None
 0.95A 2wa2B-3eo4A:
undetectable		 2wa2B-3eo4A:
19.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X45_B_HSMB1160_1
(ALLERGEN ARG R 1)		 3hmc PUTATIVE PROPHAGE
LAMBDABA04, GLYCOSYL
HYDROLASE, FAMILY 25
(Bacillus
anthracis) 		4 / 7 TYR A  61
VAL A  91
ILE A 159
ASP A   9
 MES  A 400 (-4.0A)
None
None
MES  A 400 ( 4.0A)
 1.22A 2x45B-3hmcA:
undetectable		 2x45B-3hmcA:
23.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X45_C_HSMC1160_1
(ALLERGEN ARG R 1)		 3hmc PUTATIVE PROPHAGE
LAMBDABA04, GLYCOSYL
HYDROLASE, FAMILY 25
(Bacillus
anthracis) 		4 / 7 TYR A  61
VAL A  91
ILE A 159
ASP A   9
 MES  A 400 (-4.0A)
None
None
MES  A 400 ( 4.0A)
 1.24A 2x45C-3hmcA:
undetectable		 2x45C-3hmcA:
23.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XN3_A_ID8A1356_1
(THYROXINE-BINDING
GLOBULIN)		 5m6q UNCHARACTERIZED
PROTEIN
(Kutzneria
albida) 		4 / 8 LEU A  59
LEU A  64
ASN A  65
ARG A  56
 None
None
MES  A 301 (-3.5A)
None
 1.11A 2xn3A-5m6qA:
undetectable
2xn3B-5m6qA:
undetectable		 2xn3A-5m6qA:
19.83
2xn3B-5m6qA:
9.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XP2_A_VGHA9000_1
(TYROSINE-PROTEIN
KINASE RECEPTOR)		 5uuu BETA-ADRENERGIC
RECEPTOR KINASE 1
(Homo
sapiens) 		6 / 9 VAL A 205
ALA A 218
LEU A 271
MET A 274
LEU A 324
ASP A 335
 QRW  A 601 (-4.7A)
QRW  A 601 (-3.4A)
QRW  A 601 ( 4.9A)
MES  A 604 (-3.9A)
None
QRW  A 601 (-3.7A)
 0.78A 2xp2A-5uuuA:
22.5		 2xp2A-5uuuA:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XXG_A_CUA1338_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 5b8i SERINE/THREONINE-PRO
TEIN PHOSPHATASE
(Coccidioides
immitis) 		3 / 3 ASP A 136
HIS A 169
HIS A 110
 ZN  A 401 (-2.7A)
MES  A 403 (-3.8A)
FE  A 402 ( 3.3A)
 0.62A 2xxgA-5b8iA:
undetectable		 2xxgA-5b8iA:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XXG_C_CUC1339_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 5b8i SERINE/THREONINE-PRO
TEIN PHOSPHATASE
(Coccidioides
immitis) 		3 / 3 ASP A 136
HIS A 169
HIS A 110
 ZN  A 401 (-2.7A)
MES  A 403 (-3.8A)
FE  A 402 ( 3.3A)
 0.63A 2xxgC-5b8iA:
undetectable		 2xxgC-5b8iA:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7J_A_B49A1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)		 5uuu BETA-ADRENERGIC
RECEPTOR KINASE 1
(Homo
sapiens) 		8 / 12 ILE A 197
ARG A 199
VAL A 205
ALA A 218
LEU A 273
MET A 274
GLY A 277
LEU A 324
 QRW  A 601 (-4.7A)
None
QRW  A 601 (-4.7A)
QRW  A 601 (-3.4A)
None
MES  A 604 (-3.9A)
None
None
 1.14A 2y7jA-5uuuA:
30.6		 2y7jA-5uuuA:
23.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7J_A_B49A1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)		 5uuu BETA-ADRENERGIC
RECEPTOR KINASE 1
(Homo
sapiens) 		8 / 12 ILE A 197
ARG A 199
VAL A 205
ALA A 218
LEU A 273
MET A 274
LEU A 324
ASP A 335
 QRW  A 601 (-4.7A)
None
QRW  A 601 (-4.7A)
QRW  A 601 (-3.4A)
None
MES  A 604 (-3.9A)
None
QRW  A 601 (-3.7A)
 1.28A 2y7jA-5uuuA:
30.6		 2y7jA-5uuuA:
23.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7J_B_B49B1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)		 5uuu BETA-ADRENERGIC
RECEPTOR KINASE 1
(Homo
sapiens) 		7 / 10 ILE A 197
VAL A 205
ALA A 218
LEU A 273
MET A 274
GLY A 277
LEU A 324
 QRW  A 601 (-4.7A)
QRW  A 601 (-4.7A)
QRW  A 601 (-3.4A)
None
MES  A 604 (-3.9A)
None
None
 0.68A 2y7jB-5uuuA:
31.0		 2y7jB-5uuuA:
23.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7J_B_B49B1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)		 5uuu BETA-ADRENERGIC
RECEPTOR KINASE 1
(Homo
sapiens) 		7 / 10 ILE A 197
VAL A 205
ALA A 218
LEU A 273
MET A 274
LEU A 324
ASP A 335
 QRW  A 601 (-4.7A)
QRW  A 601 (-4.7A)
QRW  A 601 (-3.4A)
None
MES  A 604 (-3.9A)
None
QRW  A 601 (-3.7A)
 0.85A 2y7jB-5uuuA:
31.0		 2y7jB-5uuuA:
23.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7J_C_B49C1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)		 5uuu BETA-ADRENERGIC
RECEPTOR KINASE 1
(Homo
sapiens) 		6 / 10 ILE A 197
ALA A 218
LEU A 273
MET A 274
GLY A 276
LEU A 324
 QRW  A 601 (-4.7A)
QRW  A 601 (-3.4A)
None
MES  A 604 (-3.9A)
None
None
 0.95A 2y7jC-5uuuA:
30.6		 2y7jC-5uuuA:
23.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7J_C_B49C1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)		 5uuu BETA-ADRENERGIC
RECEPTOR KINASE 1
(Homo
sapiens) 		7 / 10 ILE A 197
VAL A 205
ALA A 218
LEU A 273
MET A 274
GLY A 277
LEU A 324
 QRW  A 601 (-4.7A)
QRW  A 601 (-4.7A)
QRW  A 601 (-3.4A)
None
MES  A 604 (-3.9A)
None
None
 0.67A 2y7jC-5uuuA:
30.6		 2y7jC-5uuuA:
23.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7J_D_B49D1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)		 5uuu BETA-ADRENERGIC
RECEPTOR KINASE 1
(Homo
sapiens) 		6 / 10 ILE A 197
ALA A 218
LEU A 273
MET A 274
GLY A 276
LEU A 324
 QRW  A 601 (-4.7A)
QRW  A 601 (-3.4A)
None
MES  A 604 (-3.9A)
None
None
 1.02A 2y7jD-5uuuA:
30.4		 2y7jD-5uuuA:
23.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7J_D_B49D1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)		 5uuu BETA-ADRENERGIC
RECEPTOR KINASE 1
(Homo
sapiens) 		6 / 10 ILE A 197
VAL A 205
ALA A 218
LEU A 273
MET A 274
LEU A 324
 QRW  A 601 (-4.7A)
QRW  A 601 (-4.7A)
QRW  A 601 (-3.4A)
None
MES  A 604 (-3.9A)
None
 0.57A 2y7jD-5uuuA:
30.4		 2y7jD-5uuuA:
23.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7J_D_B49D1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)		 5uuu BETA-ADRENERGIC
RECEPTOR KINASE 1
(Homo
sapiens) 		6 / 10 ILE A 197
VAL A 205
ALA A 218
MET A 274
GLY A 277
LEU A 324
 QRW  A 601 (-4.7A)
QRW  A 601 (-4.7A)
QRW  A 601 (-3.4A)
MES  A 604 (-3.9A)
None
None
 0.74A 2y7jD-5uuuA:
30.4		 2y7jD-5uuuA:
23.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YGP_A_PCFA1213_1
(WNT INHIBITORY
FACTOR 1)		 4h62 MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 17
MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 22
(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		5 / 9 ILE Q 647
ILE Q 645
PHE Q 667
ILE Q 619
VAL V 116
 None
None
None
None
MES  Q 701 (-4.9A)
 1.28A 2ygpA-4h62Q:
undetectable		 2ygpA-4h62Q:
18.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YOE_C_FL7C1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 2v2f PENICILLIN BINDING
PROTEIN 1A
(Streptococcus
pneumoniae) 		4 / 8 GLY F 559
ILE F 454
THR F 376
TYR F 456
 MES  F1653 (-3.6A)
None
None
None
 0.90A 2yoeB-2v2fF:
undetectable
2yoeC-2v2fF:
undetectable		 2yoeB-2v2fF:
19.80
2yoeC-2v2fF:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YOE_C_FL7C1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 4bko PUTATIVE REDUCTASE
BURPS305_1051
(Burkholderia
pseudomallei) 		4 / 8 GLY A  87
ILE A 305
VAL A 273
SER A  91
 None
None
MES  A1399 (-4.1A)
None
 0.89A 2yoeB-4bkoA:
undetectable
2yoeC-4bkoA:
undetectable		 2yoeB-4bkoA:
21.75
2yoeC-4bkoA:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Z9W_A_PXLA1197_1
(ASPARTATE
AMINOTRANSFERASE)		 3m5u PHOSPHOSERINE
AMINOTRANSFERASE
(Campylobacter
jejuni) 		5 / 11 CYH A 144
THR A 148
ASP A 167
SER A 170
LYS A 191
 MES  A 362 ( 4.9A)
MES  A 362 (-3.9A)
MES  A 362 (-3.1A)
MES  A 362 ( 4.6A)
MES  A 362 (-2.8A)
 0.44A 2z9wA-3m5uA:
2.2		 2z9wA-3m5uA:
24.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Z9W_B_PXLB1197_1
(ASPARTATE
AMINOTRANSFERASE)		 3m5u PHOSPHOSERINE
AMINOTRANSFERASE
(Campylobacter
jejuni) 		5 / 11 CYH A 144
THR A 148
ASP A 167
SER A 170
LYS A 191
 MES  A 362 ( 4.9A)
MES  A 362 (-3.9A)
MES  A 362 (-3.1A)
MES  A 362 ( 4.6A)
MES  A 362 (-2.8A)
 0.45A 2z9wB-3m5uA:
7.1		 2z9wB-3m5uA:
24.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZM7_A_ACAA501_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 2zm2 6-AMINOHEXANOATE-DIM
ER HYDROLASE
(Flavobacterium
sp.) 		5 / 7 TYR A 215
TRP A 331
ILE A 343
ILE A 345
HIS A 375
 GOL  A 505 ( 4.4A)
MES  A 501 (-4.0A)
MES  A 501 (-4.2A)
MES  A 504 ( 3.7A)
MES  A 501 ( 4.2A)
 0.21A 2zm7A-2zm2A:
67.3		 2zm7A-2zm2A:
97.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZM7_A_ACAA502_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 2zm2 6-AMINOHEXANOATE-DIM
ER HYDROLASE
(Flavobacterium
sp.) 		6 / 10 MET A 111
TRP A 186
TYR A 215
HIS A 266
GLY A 344
ILE A 345
 MES  A 504 (-3.8A)
MES  A 504 (-4.0A)
GOL  A 505 ( 4.4A)
MES  A 504 (-4.0A)
MES  A 501 (-3.5A)
MES  A 504 ( 3.7A)
 0.31A 2zm7A-2zm2A:
67.3		 2zm7A-2zm2A:
97.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZM8_A_ACAA511_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 2zm2 6-AMINOHEXANOATE-DIM
ER HYDROLASE
(Flavobacterium
sp.) 		4 / 8 TYR A 215
TRP A 331
ILE A 343
ILE A 345
 GOL  A 505 ( 4.4A)
MES  A 501 (-4.0A)
MES  A 501 (-4.2A)
MES  A 504 ( 3.7A)
 0.21A 2zm8A-2zm2A:
67.1		 2zm8A-2zm2A:
98.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZM8_A_ACAA512_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 2zm2 6-AMINOHEXANOATE-DIM
ER HYDROLASE
(Flavobacterium
sp.) 		7 / 10 MET A 111
TRP A 186
TYR A 215
SER A 217
HIS A 266
GLY A 344
ILE A 345
 MES  A 504 (-3.8A)
MES  A 504 (-4.0A)
GOL  A 505 ( 4.4A)
MES  A 504 ( 2.7A)
MES  A 504 (-4.0A)
MES  A 501 (-3.5A)
MES  A 504 ( 3.7A)
 0.30A 2zm8A-2zm2A:
67.1		 2zm8A-2zm2A:
98.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZM9_A_ACAA501_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 2zm2 6-AMINOHEXANOATE-DIM
ER HYDROLASE
(Flavobacterium
sp.) 		5 / 9 TYR A 215
TRP A 331
ILE A 343
GLY A 344
ILE A 345
 GOL  A 505 ( 4.4A)
MES  A 501 (-4.0A)
MES  A 501 (-4.2A)
MES  A 501 (-3.5A)
MES  A 504 ( 3.7A)
 0.18A 2zm9A-2zm2A:
68.2		 2zm9A-2zm2A:
99.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZM9_A_ACAA502_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 2zm2 6-AMINOHEXANOATE-DIM
ER HYDROLASE
(Flavobacterium
sp.) 		6 / 8 MET A 111
TRP A 186
TYR A 215
HIS A 266
GLY A 344
ILE A 345
 MES  A 504 (-3.8A)
MES  A 504 (-4.0A)
GOL  A 505 ( 4.4A)
MES  A 504 (-4.0A)
MES  A 501 (-3.5A)
MES  A 504 ( 3.7A)
 0.16A 2zm9A-2zm2A:
68.2		 2zm9A-2zm2A:
99.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZMA_A_ACAA501_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 2zm2 6-AMINOHEXANOATE-DIM
ER HYDROLASE
(Flavobacterium
sp.) 		4 / 8 TYR A 215
TRP A 331
ILE A 343
ILE A 345
 GOL  A 505 ( 4.4A)
MES  A 501 (-4.0A)
MES  A 501 (-4.2A)
MES  A 504 ( 3.7A)
 0.21A 2zmaA-2zm2A:
67.3		 2zmaA-2zm2A:
97.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZMA_A_ACAA502_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 2zm2 6-AMINOHEXANOATE-DIM
ER HYDROLASE
(Flavobacterium
sp.) 		6 / 11 MET A 111
TRP A 186
TYR A 215
SER A 217
GLY A 344
ILE A 345
 MES  A 504 (-3.8A)
MES  A 504 (-4.0A)
GOL  A 505 ( 4.4A)
MES  A 504 ( 2.7A)
MES  A 501 (-3.5A)
MES  A 504 ( 3.7A)
 0.24A 2zmaA-2zm2A:
67.3		 2zmaA-2zm2A:
97.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZVA_A_1N1A513_1
(TYROSINE-PROTEIN
KINASE LYN)		 5uuu BETA-ADRENERGIC
RECEPTOR KINASE 1
(Homo
sapiens) 		7 / 12 ALA A 218
LYS A 220
GLU A 239
VAL A 255
MET A 274
GLY A 277
LEU A 324
 QRW  A 601 (-3.4A)
QRW  A 601 (-3.0A)
QRW  A 601 (-3.9A)
None
MES  A 604 (-3.9A)
None
None
 0.81A 2zvaA-5uuuA:
24.8		 2zvaA-5uuuA:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZW9_B_SAMB801_1
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		4 / 8 ILE A 247
SER A 130
TYR A 264
SER A  72
 None
MES  A1000 (-2.7A)
None
None
 1.00A 2zw9B-1hzoA:
undetectable		 2zw9B-1hzoA:
17.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZZA_A_FOLA164_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
ILE A 121
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.76A 2zzaA-2blbA:
20.4		 2zzaA-2blbA:
23.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZZA_B_FOLB164_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 11 ILE A  13
ALA A  15
ILE A 121
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.76A 2zzaB-2blbA:
20.3		 2zzaB-2blbA:
23.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A27_A_SAMA250_1
(UNCHARACTERIZED
PROTEIN MJ1557)		 4lih GAMMA-GLUTAMYL-GAMMA
-AMINOBUTYRALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		3 / 3 MET A  94
GLU A 105
ASN A 168
 None
None
MES  A 501 (-3.6A)
 0.89A 3a27A-4lihA:
undetectable		 3a27A-4lihA:
19.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A65_A_ACAA601_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 2zm2 6-AMINOHEXANOATE-DIM
ER HYDROLASE
(Flavobacterium
sp.) 		8 / 12 MET A 111
LYS A 115
VAL A 177
TRP A 186
TYR A 215
SER A 217
GLY A 344
ILE A 345
 MES  A 504 (-3.8A)
MES  A 504 (-3.1A)
MES  A 504 (-4.4A)
MES  A 504 (-4.0A)
GOL  A 505 ( 4.4A)
MES  A 504 ( 2.7A)
MES  A 501 (-3.5A)
MES  A 504 ( 3.7A)
 0.32A 3a65A-2zm2A:
67.9		 3a65A-2zm2A:
97.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A66_A_ACAA601_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 2zm2 6-AMINOHEXANOATE-DIM
ER HYDROLASE
(Flavobacterium
sp.) 		7 / 10 MET A 111
LYS A 115
TRP A 186
TYR A 215
SER A 217
GLY A 344
ILE A 345
 MES  A 504 (-3.8A)
MES  A 504 (-3.1A)
MES  A 504 (-4.0A)
GOL  A 505 ( 4.4A)
MES  A 504 ( 2.7A)
MES  A 501 (-3.5A)
MES  A 504 ( 3.7A)
 0.21A 3a66A-2zm2A:
67.3		 3a66A-2zm2A:
97.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG4_B_CHDB1085_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		 1wk4 TTK003001606
(Thermus
thermophilus) 		5 / 12 GLN A 101
THR A  21
THR A  25
PHE A 139
GLY A 136
 None
None
None
MES  A 201 ( 4.3A)
MES  A 201 (-3.3A)
 1.23A 3ag4A-1wk4A:
undetectable
3ag4B-1wk4A:
0.0
3ag4T-1wk4A:
undetectable		 3ag4A-1wk4A:
14.65
3ag4B-1wk4A:
21.15
3ag4T-1wk4A:
18.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AOX_A_EMHA901_1
(ALK TYROSINE KINASE
RECEPTOR)		 5uuu BETA-ADRENERGIC
RECEPTOR KINASE 1
(Homo
sapiens) 		8 / 10 ALA A 218
LYS A 220
VAL A 255
LEU A 271
LEU A 273
MET A 274
GLY A 277
LEU A 324
 QRW  A 601 (-3.4A)
QRW  A 601 (-3.0A)
None
QRW  A 601 ( 4.9A)
None
MES  A 604 (-3.9A)
None
None
 0.70A 3aoxA-5uuuA:
21.8		 3aoxA-5uuuA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AOX_A_EMHA901_1
(ALK TYROSINE KINASE
RECEPTOR)		 5uuu BETA-ADRENERGIC
RECEPTOR KINASE 1
(Homo
sapiens) 		7 / 10 ALA A 218
VAL A 255
LEU A 271
LEU A 273
MET A 274
GLY A 276
LEU A 324
 QRW  A 601 (-3.4A)
None
QRW  A 601 ( 4.9A)
None
MES  A 604 (-3.9A)
None
None
 0.97A 3aoxA-5uuuA:
21.8		 3aoxA-5uuuA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AQI_B_CHDB4_0
(FERROCHELATASE)		 3ek1 ALDEHYDE
DEHYDROGENASE
(Brucella
abortus) 		4 / 6 MET A  95
ARG A 284
PRO A  34
GLY A 330
 None
MES  A 485 (-4.5A)
None
None
 1.44A 3aqiB-3ek1A:
undetectable		 3aqiB-3ek1A:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AQI_B_CHDB6_0
(FERROCHELATASE)		 3l6a EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4
GAMMA 2
(Homo
sapiens) 		5 / 12 LEU A  89
LEU A 128
ILE A  49
VAL A 162
VAL A 119
 None
None
None
MES  A 361 (-3.6A)
None
 1.16A 3aqiB-3l6aA:
undetectable		 3aqiB-3l6aA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BJW_B_SVRB501_2
(PHOSPHOLIPASE A2)		 5x6s ACETYLXYLAN ESTERASE
A
(Aspergillus
awamori) 		5 / 11 GLY A 265
ILE A 263
SER A  51
PRO A  52
THR A  55
 None
None
None
MES  A 303 ( 4.5A)
MES  A 303 (-4.6A)
 1.12A 3bjwB-5x6sA:
undetectable		 3bjwB-5x6sA:
16.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BJW_E_SVRE503_1
(PHOSPHOLIPASE A2)		 5x6s ACETYLXYLAN ESTERASE
A
(Aspergillus
awamori) 		5 / 11 GLY A 265
ILE A 263
SER A  51
PRO A  52
THR A  55
 None
None
None
MES  A 303 ( 4.5A)
MES  A 303 (-4.6A)
 1.13A 3bjwE-5x6sA:
undetectable		 3bjwE-5x6sA:
16.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BJW_F_SVRF502_3
(PHOSPHOLIPASE A2)		 5x6s ACETYLXYLAN ESTERASE
A
(Aspergillus
awamori) 		5 / 12 GLY A 265
ILE A 263
SER A  51
PRO A  52
THR A  55
 None
None
None
MES  A 303 ( 4.5A)
MES  A 303 (-4.6A)
 1.12A 3bjwF-5x6sA:
undetectable		 3bjwF-5x6sA:
16.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BJW_H_SVRH504_3
(PHOSPHOLIPASE A2)		 5x6s ACETYLXYLAN ESTERASE
A
(Aspergillus
awamori) 		5 / 11 GLY A 265
ILE A 263
SER A  51
PRO A  52
THR A  55
 None
None
None
MES  A 303 ( 4.5A)
MES  A 303 (-4.6A)
 1.16A 3bjwH-5x6sA:
undetectable		 3bjwH-5x6sA:
16.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CCF_B_BEZB261_0
(CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE)		 3fy4 6-4 PHOTOLYASE
(Arabidopsis
thaliana) 		4 / 8 HIS A 368
ASN A 405
TRP A 408
TRP A 301
 MES  A 920 ( 4.1A)
FAD  A 900 ( 3.4A)
MES  A 920 (-4.0A)
MES  A 920 ( 3.6A)
 1.17A 3ccfB-3fy4A:
3.3		 3ccfB-3fy4A:
19.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CCF_B_BEZB261_0
(CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE)		 3v0a NTNH
(Clostridium
botulinum) 		4 / 8 ILE B 236
TRP B 332
PHE B 288
TYR B 231
 None
None
MES  B1202 ( 4.0A)
None
 1.29A 3ccfB-3v0aB:
undetectable		 3ccfB-3v0aB:
12.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CD2_A_MTXA307_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
LEU A  45
PRO A 122
LEU A 128
ARG A 131
ILE A 173
TYR A 179
 CP7  A1240 (-4.1A)
NDP  A1239 (-4.8A)
None
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 ( 3.8A)
None
 0.65A 3cd2A-2blbA:
20.9		 3cd2A-2blbA:
28.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CL9_A_MTXA602_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE (DHFR-TS))		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ALA A  15
ASP A  53
MET A  54
SER A 120
LEU A 128
PRO A 129
ARG A 131
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.6A)
NDP  A1239 (-3.6A)
MES  A1241 (-4.5A)
None
MES  A1241 (-2.7A)
 0.93A 3cl9A-2blbA:
10.2		 3cl9A-2blbA:
17.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CL9_A_MTXA602_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE (DHFR-TS))		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ALA A  15
ASP A  53
SER A 117
LEU A 128
PRO A 129
ARG A 131
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
NDP  A1239 (-2.9A)
MES  A1241 (-4.5A)
None
MES  A1241 (-2.7A)
 1.36A 3cl9A-2blbA:
10.2		 3cl9A-2blbA:
17.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CL9_A_MTXA602_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE (DHFR-TS))		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ALA A  15
ASP A  53
SER A 120
PRO A 122
LEU A 128
PRO A 129
ARG A 131
TYR A 179
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
NDP  A1239 (-3.6A)
None
MES  A1241 (-4.5A)
None
MES  A1241 (-2.7A)
None
 0.80A 3cl9A-2blbA:
10.2		 3cl9A-2blbA:
17.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CLB_A_TMQA611_1
(DHFR-TS)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 11 ALA A  15
ASP A  53
ILE A 121
PRO A 122
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
None
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.49A 3clbA-2blbA:
20.7		 3clbA-2blbA:
17.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CLB_A_TMQA611_1
(DHFR-TS)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		5 / 11 MET A  54
ILE A 121
PRO A 122
LEU A 128
ILE A 173
 MES  A1241 (-3.6A)
MES  A1241 ( 4.1A)
None
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
 0.76A 3clbA-2blbA:
20.7		 3clbA-2blbA:
17.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CLB_B_TMQB612_1
(DHFR-TS)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ALA A  15
ASP A  53
PHE A  57
SER A 120
ILE A 121
PRO A 122
ILE A 173
TYR A 179
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
None
CP7  A1240 ( 3.8A)
None
 0.68A 3clbB-2blbA:
19.9		 3clbB-2blbA:
17.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CLB_B_TMQB612_1
(DHFR-TS)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 MET A  54
PHE A  57
SER A 120
ILE A 121
PRO A 122
ILE A 173
 MES  A1241 (-3.6A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
None
CP7  A1240 ( 3.8A)
 0.94A 3clbB-2blbA:
19.9		 3clbB-2blbA:
17.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CLB_C_TMQC613_1
(DHFR-TS)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ALA A  15
ASP A  53
ILE A 121
PRO A 122
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
None
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.48A 3clbC-2blbA:
20.7		 3clbC-2blbA:
17.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CLB_C_TMQC613_1
(DHFR-TS)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		5 / 12 MET A  54
ILE A 121
PRO A 122
LEU A 128
ILE A 173
 MES  A1241 (-3.6A)
MES  A1241 ( 4.1A)
None
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
 0.76A 3clbC-2blbA:
20.7		 3clbC-2blbA:
17.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CLB_D_TMQD614_1
(DHFR-TS)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 10 ALA A  15
ASP A  53
ILE A 121
PRO A 122
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
None
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.46A 3clbD-2blbA:
20.7		 3clbD-2blbA:
17.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CLB_D_TMQD614_1
(DHFR-TS)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		5 / 10 MET A  54
ILE A 121
PRO A 122
ILE A 173
THR A 194
 MES  A1241 (-3.6A)
MES  A1241 ( 4.1A)
None
CP7  A1240 ( 3.8A)
CP7  A1240 (-4.1A)
 0.89A 3clbD-2blbA:
20.7		 3clbD-2blbA:
17.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D41_A_FCNA4001_1
(FOMA PROTEIN)		 5fud O-ACETYL-ADP-RIBOSE
DEACETYLASE
(Oceanobacillus
iheyensis) 		4 / 8 GLY A  36
GLY A  41
HIS A  44
ILE A  43
 MES  A1188 ( 3.7A)
None
None
None
 0.65A 3d41A-5fudA:
undetectable		 3d41A-5fudA:
26.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DAT_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ALA A  15
LEU A  45
ILE A 121
LEU A 128
ARG A 131
TYR A 179
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.79A 3datA-2blbA:
20.6		 3datA-2blbA:
25.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DAU_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ILE A  13
ALA A  15
ASP A  53
ILE A 121
LEU A 128
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
 0.70A 3dauA-2blbA:
20.5		 3dauA-2blbA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DAU_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ILE A  13
ALA A  15
ASP A  53
LEU A 128
ARG A 131
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.37A 3dauA-2blbA:
20.5		 3dauA-2blbA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DFR_A_MTXA164_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ALA A  15
LEU A  45
ASP A  53
LEU A 128
ARG A 131
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 (-4.1A)
 0.61A 3dfrA-2blbA:
21.0		 3dfrA-2blbA:
23.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DFR_A_MTXA164_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ALA A  15
LEU A  45
ASP A  53
SER A 120
LEU A 128
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
NDP  A1239 (-3.6A)
MES  A1241 (-4.5A)
CP7  A1240 (-4.1A)
 0.63A 3dfrA-2blbA:
21.0		 3dfrA-2blbA:
23.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DRC_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
ASP A  53
ILE A 121
LEU A 128
ILE A 173
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
 0.68A 3drcA-2blbA:
19.4		 3drcA-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DRC_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
ASP A  53
SER A 120
LEU A 128
ARG A 131
ILE A 173
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
NDP  A1239 (-3.6A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 ( 3.8A)
None
 0.60A 3drcA-2blbA:
19.4		 3drcA-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DRC_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
ASP A  53
ILE A 121
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.62A 3drcB-2blbA:
19.8		 3drcB-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DRC_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
ASP A  53
LEU A 128
ARG A 131
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.36A 3drcB-2blbA:
19.8		 3drcB-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_E_SAME300_0
(PUTATIVE RRNA
METHYLASE)		 2dvm 439AA LONG
HYPOTHETICAL MALATE
OXIDOREDUCTASE
(Pyrococcus
horikoshii) 		5 / 12 GLY A  63
ASN A  64
GLY A  54
LEU A 340
THR A 400
 None
None
MES  A2759 ( 3.7A)
None
None
 1.19A 3eeyE-2dvmA:
5.2		 3eeyE-2dvmA:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_H_SAMH300_0
(PUTATIVE RRNA
METHYLASE)		 2dvm 439AA LONG
HYPOTHETICAL MALATE
OXIDOREDUCTASE
(Pyrococcus
horikoshii) 		5 / 12 GLY A  63
ASN A  64
GLY A  54
LEU A 340
THR A 400
 None
None
MES  A2759 ( 3.7A)
None
None
 1.19A 3eeyH-2dvmA:
5.2		 3eeyH-2dvmA:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_I_SAMI300_0
(PUTATIVE RRNA
METHYLASE)		 2dvm 439AA LONG
HYPOTHETICAL MALATE
OXIDOREDUCTASE
(Pyrococcus
horikoshii) 		5 / 12 GLY A  63
ASN A  64
GLY A  54
LEU A 340
THR A 400
 None
None
MES  A2759 ( 3.7A)
None
None
 1.15A 3eeyI-2dvmA:
5.3		 3eeyI-2dvmA:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_J_SAMJ300_0
(PUTATIVE RRNA
METHYLASE)		 2dvm 439AA LONG
HYPOTHETICAL MALATE
OXIDOREDUCTASE
(Pyrococcus
horikoshii) 		5 / 12 GLY A  63
ASN A  64
GLY A  54
LEU A 340
THR A 400
 None
None
MES  A2759 ( 3.7A)
None
None
 1.20A 3eeyJ-2dvmA:
5.2		 3eeyJ-2dvmA:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EIG_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
LEU A  45
SER A 120
PRO A 122
LEU A 128
ARG A 131
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
NDP  A1239 (-3.6A)
None
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.73A 3eigA-2blbA:
21.6		 3eigA-2blbA:
29.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ELZ_B_CHDB151_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 4kpt GLUTAMINE ABC
TRANSPORTER PERMEASE
AND SUBSTRATE
BINDING PROTEIN
PROTEIN
(Lactococcus
lactis) 		5 / 10 TYR A 111
ILE A 243
ILE A  53
GLY A  94
LEU A 231
 None
None
None
MES  A 301 (-4.6A)
None
 1.15A 3elzB-4kptA:
undetectable		 3elzB-4kptA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ELZ_B_CHDB151_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 4kpt GLUTAMINE ABC
TRANSPORTER PERMEASE
AND SUBSTRATE
BINDING PROTEIN
PROTEIN
(Lactococcus
lactis) 		5 / 10 TYR A 111
ILE A 243
ILE A  53
GLY A  94
TYR A  73
 None
None
None
MES  A 301 (-4.6A)
None
 1.14A 3elzB-4kptA:
undetectable		 3elzB-4kptA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EM0_A_CHDA151_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 4kpt GLUTAMINE ABC
TRANSPORTER PERMEASE
AND SUBSTRATE
BINDING PROTEIN
PROTEIN
(Lactococcus
lactis) 		5 / 10 TYR A 111
ILE A 243
ILE A  53
GLY A  94
LEU A 231
 None
None
None
MES  A 301 (-4.6A)
None
 1.26A 3em0A-4kptA:
undetectable		 3em0A-4kptA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ETE_C_H3PC552_1
(GLUTAMATE
DEHYDROGENASE)		 3jtx AMINOTRANSFERASE
(Neisseria
meningitidis) 		3 / 3 TYR A 327
TYR A 129
GLY A  37
 None
LLP  A 244 (-3.5A)
MES  A 400 (-3.9A)
 0.69A 3eteB-3jtxA:
2.3
3eteD-3jtxA:
2.2
3eteF-3jtxA:
2.3		 3eteB-3jtxA:
22.46
3eteD-3jtxA:
22.46
3eteF-3jtxA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FL9_D_TOPD200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		5 / 9 ALA A  15
LEU A  45
ILE A 121
LEU A 128
TYR A 179
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
 1.10A 3fl9D-2blbA:
20.0		 3fl9D-2blbA:
25.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FL9_G_TOPG200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		5 / 12 ALA A  15
LEU A  45
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.73A 3fl9G-2blbA:
19.6		 3fl9G-2blbA:
25.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FRB_X_TOPX300_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 11 ALA A  15
LEU A  45
ASP A  53
SER A 120
ILE A 121
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
None
CP7  A1240 (-4.1A)
 0.80A 3frbX-2blbA:
19.7		 3frbX-2blbA:
28.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FRE_X_TOPX300_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 9 ALA A  15
LEU A  45
ASP A  53
SER A 120
ILE A 121
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
CP7  A1240 (-4.1A)
 0.83A 3freX-2blbA:
19.7		 3freX-2blbA:
28.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G8I_A_RO7A1_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA)		 1fzq ADP-RIBOSYLATION
FACTOR-LIKE PROTEIN
3
(Mus
musculus) 		4 / 7 LEU A  37
GLN A 154
LEU A 107
VAL A  91
 None
MES  A 201 (-4.0A)
None
None
 0.92A 3g8iA-1fzqA:
undetectable		 3g8iA-1fzqA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GAL_A_1GNA998_1
(GALECTIN-7)		 1wlc CONGERIN II
(Conger
myriaster) 		5 / 6 HIS A  44
ARG A  48
ASN A  61
TRP A  69
GLU A  72
 MES  A 777 ( 4.6A)
None
None
None
None
 0.20A 3galA-1wlcA:
19.5		 3galA-1wlcA:
29.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GAL_B_1GNB999_1
(GALECTIN-7)		 1wlc CONGERIN II
(Conger
myriaster) 		5 / 6 HIS A  44
ARG A  48
ASN A  61
TRP A  69
GLU A  72
 MES  A 777 ( 4.6A)
None
None
None
None
 0.27A 3galB-1wlcA:
19.1		 3galB-1wlcA:
29.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWW_A_SFXA801_1
(TRANSPORTER)		 3hvu HYPOXANTHINE
PHOSPHORIBOSYLTRANSF
ERASE
(Bacillus
anthracis) 		5 / 12 LEU A 108
GLY A 105
ARG A 135
ILE A 125
ASP A 130
 MES  A 181 (-3.7A)
MES  A 181 (-3.0A)
None
None
None
 1.04A 3gwwA-3hvuA:
undetectable		 3gwwA-3hvuA:
18.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H0A_A_9RAA500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3l6a EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4
GAMMA 2
(Homo
sapiens) 		5 / 12 ALA A 111
GLN A 143
LEU A 144
VAL A 162
LEU A 128
 None
None
None
MES  A 361 (-3.6A)
None
 0.94A 3h0aA-3l6aA:
undetectable		 3h0aA-3l6aA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HBB_A_TMQA611_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 10 ALA A  15
ASP A  53
ILE A 121
PRO A 122
LEU A 128
ILE A 173
TYR A 179
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
None
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
 0.52A 3hbbA-2blbA:
20.7		 3hbbA-2blbA:
17.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HBB_A_TMQA611_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 10 ASP A  53
MET A  54
ILE A 121
PRO A 122
LEU A 128
ILE A 173
 CP7  A1240 (-3.1A)
MES  A1241 (-3.6A)
MES  A1241 ( 4.1A)
None
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
 0.72A 3hbbA-2blbA:
20.7		 3hbbA-2blbA:
17.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HBB_C_TMQC613_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 11 ALA A  15
ASP A  53
ILE A 121
PRO A 122
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
None
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.48A 3hbbC-2blbA:
20.8		 3hbbC-2blbA:
17.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HBB_C_TMQC613_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		5 / 11 MET A  54
ILE A 121
PRO A 122
LEU A 128
ILE A 173
 MES  A1241 (-3.6A)
MES  A1241 ( 4.1A)
None
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
 0.76A 3hbbC-2blbA:
20.8		 3hbbC-2blbA:
17.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HBB_D_TMQD614_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 10 ALA A  15
ASP A  53
ILE A 121
PRO A 122
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
None
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.43A 3hbbD-2blbA:
20.8		 3hbbD-2blbA:
17.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HBB_D_TMQD614_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		5 / 10 MET A  54
ILE A 121
PRO A 122
ILE A 173
THR A 194
 MES  A1241 (-3.6A)
MES  A1241 ( 4.1A)
None
CP7  A1240 ( 3.8A)
CP7  A1240 (-4.1A)
 0.85A 3hbbD-2blbA:
20.8		 3hbbD-2blbA:
17.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HCO_B_CHDB1_0
(FERROCHELATASE,
MITOCHONDRIAL)		 1wd5 HYPOTHETICAL PROTEIN
TT1426
(Thermus
thermophilus) 		4 / 4 LEU A 175
PRO A 156
LEU A  13
ARG A  44
 None
None
None
MES  A2955 ( 3.9A)
 1.31A 3hcoB-1wd5A:
undetectable		 3hcoB-1wd5A:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HJ3_A_MTXA605_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		10 / 12 ALA A  15
LEU A  45
ASP A  53
PHE A  57
SER A  58
ILE A 121
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
MES  A1241 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.60A 3hj3A-2blbA:
23.2		 3hj3A-2blbA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HJ3_B_MTXB609_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ALA A  15
LEU A  45
ASP A  53
LYS A  55
PHE A  57
SER A  58
ARG A 131
TYR A 179
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
None
CP7  A1240 ( 4.1A)
MES  A1241 (-3.1A)
MES  A1241 (-2.7A)
None
 0.85A 3hj3B-2blbA:
23.1		 3hj3B-2blbA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HJ3_B_MTXB609_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		9 / 12 ALA A  15
LEU A  45
ASP A  53
PHE A  57
SER A  58
ILE A 121
LEU A 128
ARG A 131
TYR A 179
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
MES  A1241 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.63A 3hj3B-2blbA:
23.1		 3hj3B-2blbA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HJ3_C_MTXC613_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		9 / 12 ALA A  15
LEU A  45
ASP A  53
PHE A  57
SER A  58
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
MES  A1241 (-3.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.57A 3hj3C-2blbA:
21.5		 3hj3C-2blbA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HJ3_D_MTXD615_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		9 / 12 ALA A  15
LEU A  45
ASP A  53
PHE A  57
SER A  58
ILE A 121
LEU A 128
ARG A 131
TYR A 179
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
MES  A1241 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.71A 3hj3D-2blbA:
18.6		 3hj3D-2blbA:
16.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HLW_A_CE3A301_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		9 / 12 LYS A  73
TYR A 105
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 236
GLY A 238
 None
MES  A1000 (-3.9A)
MES  A1000 (-2.7A)
None
None
MES  A1000 (-3.7A)
MES  A1000 (-2.9A)
MES  A1000 (-3.1A)
None
 0.65A 3hlwA-1hzoA:
46.3		 3hlwA-1hzoA:
65.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HLW_A_CE3A301_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		8 / 12 SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 236
SER A 237
GLY A 238
 MES  A1000 (-2.7A)
None
None
MES  A1000 (-3.7A)
MES  A1000 (-2.9A)
MES  A1000 (-3.1A)
MES  A1000 (-2.7A)
None
 0.62A 3hlwA-1hzoA:
46.3		 3hlwA-1hzoA:
65.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HLW_A_CE3A301_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 2v2f PENICILLIN BINDING
PROTEIN 1A
(Streptococcus
pneumoniae) 		6 / 12 LYS F 373
SER F 428
ASN F 430
THR F 543
LYS F 557
GLY F 559
 None
MES  F1653 (-3.1A)
None
MES  F1653 (-3.7A)
MES  F1653 ( 4.0A)
MES  F1653 (-3.6A)
 0.68A 3hlwA-2v2fF:
17.6		 3hlwA-2v2fF:
24.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HLW_B_CE3B302_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		9 / 12 SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
SER A 237
GLY A 238
 MES  A1000 (-2.7A)
None
None
MES  A1000 (-3.7A)
MES  A1000 (-2.9A)
MES  A1000 (-3.7A)
MES  A1000 (-3.1A)
MES  A1000 (-2.7A)
None
 0.59A 3hlwB-1hzoA:
46.4		 3hlwB-1hzoA:
65.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HLW_B_CE3B302_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		9 / 12 TYR A 105
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
 MES  A1000 (-3.9A)
MES  A1000 (-2.7A)
None
None
MES  A1000 (-3.7A)
MES  A1000 (-2.9A)
MES  A1000 (-3.7A)
MES  A1000 (-3.1A)
None
 0.57A 3hlwB-1hzoA:
46.4		 3hlwB-1hzoA:
65.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HLW_B_CE3B302_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 2v2f PENICILLIN BINDING
PROTEIN 1A
(Streptococcus
pneumoniae) 		6 / 12 SER F 428
ASN F 430
THR F 543
LYS F 557
THR F 558
GLY F 559
 MES  F1653 (-3.1A)
None
MES  F1653 (-3.7A)
MES  F1653 ( 4.0A)
MES  F1653 (-3.8A)
MES  F1653 (-3.6A)
 0.48A 3hlwB-2v2fF:
17.8		 3hlwB-2v2fF:
24.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HUO_A_PNNA300_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		9 / 12 LYS A  73
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
SER A 237
GLY A 238
ASP A 240
 None
None
None
MES  A1000 (-2.9A)
MES  A1000 (-3.7A)
MES  A1000 (-3.1A)
MES  A1000 (-2.7A)
None
None
 0.72A 3huoA-1hzoA:
46.4		 3huoA-1hzoA:
65.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HUO_B_PNNB301_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		8 / 12 LYS A  73
ASN A 132
ASN A 170
LYS A 234
GLY A 236
SER A 237
GLY A 238
ASP A 240
 None
None
None
MES  A1000 (-2.9A)
MES  A1000 (-3.1A)
MES  A1000 (-2.7A)
None
None
 0.72A 3huoB-1hzoA:
46.5		 3huoB-1hzoA:
65.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3I45_A_NIOA500_1
(TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN)		 3l6a EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4
GAMMA 2
(Homo
sapiens) 		4 / 8 PHE A 137
LEU A 187
PHE A 157
LEU A 153
 None
None
MES  A 362 (-4.8A)
None
 1.03A 3i45A-3l6aA:
undetectable		 3i45A-3l6aA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IA4_A_MTXA164_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		5 / 12 ALA A  15
SER A 120
ILE A 121
LEU A 128
TYR A 179
 CP7  A1240 (-3.7A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
 1.02A 3ia4A-2blbA:
20.3		 3ia4A-2blbA:
24.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IA4_A_MTXA164_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		5 / 12 ALA A  15
SER A 120
LEU A 128
ARG A 131
TYR A 179
 CP7  A1240 (-3.7A)
NDP  A1239 (-3.6A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.57A 3ia4A-2blbA:
20.3		 3ia4A-2blbA:
24.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IA4_B_MTXB164_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
SER A 120
ILE A 121
LEU A 128
ARG A 131
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.91A 3ia4B-2blbA:
20.5		 3ia4B-2blbA:
24.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IA4_C_MTXC164_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		5 / 12 ALA A  15
PHE A  57
SER A 117
LEU A 128
ARG A 131
 CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-2.9A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
 1.03A 3ia4C-2blbA:
20.3		 3ia4C-2blbA:
24.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IA4_C_MTXC164_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ALA A  15
PHE A  57
SER A 120
LEU A 128
ARG A 131
TYR A 179
 CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-3.6A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.55A 3ia4C-2blbA:
20.3		 3ia4C-2blbA:
24.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IA4_C_MTXC164_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		5 / 12 ALA A  15
SER A 120
ILE A 121
LEU A 128
TYR A 179
 CP7  A1240 (-3.7A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
 1.00A 3ia4C-2blbA:
20.3		 3ia4C-2blbA:
24.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IA4_D_MTXD164_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		5 / 12 ALA A  15
PHE A  57
SER A 117
LEU A 128
ARG A 131
 CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-2.9A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
 1.06A 3ia4D-2blbA:
20.4		 3ia4D-2blbA:
24.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IA4_D_MTXD164_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
PHE A  57
SER A 120
LEU A 128
ARG A 131
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-3.6A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.51A 3ia4D-2blbA:
20.4		 3ia4D-2blbA:
24.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IA4_D_MTXD164_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
SER A 120
ILE A 121
LEU A 128
ARG A 131
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.89A 3ia4D-2blbA:
20.4		 3ia4D-2blbA:
24.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IA4_D_MTXD164_2
(DIHYDROFOLATE
REDUCTASE)		 5b8i PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SERINE/THREONINE-PRO
TEIN PHOSPHATASE
(Coccidioides
immitis) 		3 / 3 ARG C  53
ILE C 109
THR A 369
 MES  A 404 (-2.9A)
None
None
 0.75A 3ia4D-5b8iC:
undetectable		 3ia4D-5b8iC:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IAZ_A_AINA1202_1
(LACTOTRANSFERRIN)		 3l6a EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4
GAMMA 2
(Homo
sapiens) 		3 / 3 GLU A 129
GLY A 131
THR A 132
 MES  A 361 (-3.4A)
None
PG4  A 364 (-4.5A)
 0.55A 3iazA-3l6aA:
undetectable		 3iazA-3l6aA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IW1_A_ASDA1223_1
(CYTOCHROME P450
CYP125)		 5a0n PROTEIN F2 LIKE
FIBRONECTIN-BINDING
PROTEIN
(Streptococcus
pneumoniae) 		5 / 12 ILE A  63
VAL A 180
GLN A 179
PHE A 177
SER A 207
 MES  A1256 (-3.7A)
None
None
None
None
 1.14A 3iw1A-5a0nA:
undetectable		 3iw1A-5a0nA:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IX9_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ILE A  13
ALA A  15
LEU A  45
LEU A 128
ARG A 131
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 (-4.1A)
 0.68A 3ix9A-2blbA:
21.2		 3ix9A-2blbA:
23.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IX9_B_MTXB200_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ILE A  13
ALA A  15
LEU A  45
LEU A 128
ARG A 131
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 (-4.1A)
 0.62A 3ix9B-2blbA:
21.0		 3ix9B-2blbA:
23.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JUS_A_ECLA600_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3m5u PHOSPHOSERINE
AMINOTRANSFERASE
(Campylobacter
jejuni) 		4 / 8 LEU A  69
GLY A 188
ALA A  75
ILE A  82
 None
None
MES  A 362 (-3.8A)
None
 0.73A 3jusA-3m5uA:
undetectable		 3jusA-3m5uA:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JUS_A_ECNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3m5u PHOSPHOSERINE
AMINOTRANSFERASE
(Campylobacter
jejuni) 		4 / 8 LEU A  69
GLY A 188
ALA A  75
ILE A  82
 None
None
MES  A 362 (-3.8A)
None
 0.73A 3jusA-3m5uA:
undetectable		 3jusA-3m5uA:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JW3_A_TOPA208_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		5 / 10 ALA A  15
ILE A 121
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
MES  A1241 ( 4.1A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.68A 3jw3A-2blbA:
20.9		 3jw3A-2blbA:
25.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JW3_B_TOPB208_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 9 ALA A  15
LEU A  45
ILE A 121
LEU A 128
ILE A 173
TYR A 179
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
 1.04A 3jw3B-2blbA:
20.9		 3jw3B-2blbA:
25.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JW5_B_TOPB208_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		5 / 10 ALA A  15
LEU A  45
ILE A 121
LEU A 128
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 (-4.1A)
 0.89A 3jw5B-2blbA:
20.9		 3jw5B-2blbA:
24.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_1
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 6anv ANTI-CRISPR PROTEIN
ACRF1 FUSED WITH
C-TERMINAL MBP TAG
(Escherichia
coli;
Pseudomonas
phage
JBD30) 		12 / 12 ASP A  94
LYS A  95
LYS A 122
GLU A 124
GLU A 125
ALA A 143
ASP A 145
ARG A 146
GLU A 191
PRO A 234
TRP A 310
TYR A 421
 MTT  A 501 ( 3.0A)
MTT  A 501 (-2.7A)
MES  A 502 (-3.7A)
MTT  A 501 (-3.1A)
MTT  A 501 (-3.5A)
MTT  A 501 (-3.2A)
MTT  A 501 (-2.9A)
MTT  A 501 (-4.0A)
MTT  A 501 (-2.7A)
MTT  A 501 (-3.4A)
MTT  A 501 (-4.3A)
MTT  A 501 (-4.5A)
 0.23A 3jyrA-6anvA:
62.4		 3jyrA-6anvA:
80.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_A_LYAA514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ALA A  15
ASP A  53
ILE A 121
LEU A 128
ARG A 131
TYR A 179
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.57A 3k2hA-2blbA:
24.3		 3k2hA-2blbA:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_B_LYAB514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ALA A  15
ASP A  53
ILE A 121
LEU A 128
ARG A 131
TYR A 179
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.61A 3k2hB-2blbA:
23.2		 3k2hB-2blbA:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_B_LYAB514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ALA A  15
SER A 120
ILE A 121
LEU A 128
ARG A 131
TYR A 179
 CP7  A1240 (-3.7A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.70A 3k2hB-2blbA:
23.2		 3k2hB-2blbA:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KU9_B_SPMB700_1
(POLYAMINE OXIDASE)		 4la2 DIMETHYLSULPHONIOPRO
PIONATE (DMSP) LYASE
DDDQ
(Ruegeria
lacuscaerulensis) 		4 / 7 TYR A 110
TYR A  92
TYR A  90
PHE A  86
 MES  A 202 ( 4.3A)
MES  A 202 (-3.8A)
None
None
 1.17A 3ku9B-4la2A:
undetectable		 3ku9B-4la2A:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LFA_A_1N1A361_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		 5uuu BETA-ADRENERGIC
RECEPTOR KINASE 1
(Homo
sapiens) 		5 / 8 ALA A 218
LYS A 220
GLU A 239
LEU A 273
MET A 274
 QRW  A 601 (-3.4A)
QRW  A 601 (-3.0A)
QRW  A 601 (-3.9A)
None
MES  A 604 (-3.9A)
 0.77A 3lfaA-5uuuA:
23.1		 3lfaA-5uuuA:
24.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MBG_A_ACTA206_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 2z0j PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA1438
(Thermus
thermophilus) 		4 / 4 ASP A  23
ARG A  26
THR A  30
ALA A  27
 CA  A 401 (-3.0A)
MES  A 301 (-3.7A)
None
MES  A 301 (-4.6A)
 1.28A 3mbgA-2z0jA:
0.0		 3mbgA-2z0jA:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MBG_A_ACTA207_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 2z0j PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA1438
(Thermus
thermophilus) 		4 / 7 ASP A  23
ARG A  26
THR A  30
ALA A  27
 CA  A 401 (-3.0A)
MES  A 301 (-3.7A)
None
MES  A 301 (-4.6A)
 1.30A 3mbgA-2z0jA:
undetectable
3mbgB-2z0jA:
undetectable		 3mbgA-2z0jA:
18.99
3mbgB-2z0jA:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MIY_A_B49A1_1
(TYROSINE-PROTEIN
KINASE ITK/TSK)		 5uuu BETA-ADRENERGIC
RECEPTOR KINASE 1
(Homo
sapiens) 		7 / 11 ALA A 218
LYS A 220
VAL A 255
MET A 274
LEU A 324
SER A 334
ASP A 335
 QRW  A 601 (-3.4A)
QRW  A 601 (-3.0A)
None
MES  A 604 (-3.9A)
None
QRW  A 601 ( 3.7A)
QRW  A 601 (-3.7A)
 0.95A 3miyA-5uuuA:
22.1		 3miyA-5uuuA:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MIY_A_B49A1_1
(TYROSINE-PROTEIN
KINASE ITK/TSK)		 5uuu BETA-ADRENERGIC
RECEPTOR KINASE 1
(Homo
sapiens) 		7 / 11 LYS A 220
VAL A 255
MET A 274
GLY A 277
LEU A 324
SER A 334
ASP A 335
 QRW  A 601 (-3.0A)
None
MES  A 604 (-3.9A)
None
None
QRW  A 601 ( 3.7A)
QRW  A 601 (-3.7A)
 0.96A 3miyA-5uuuA:
22.1		 3miyA-5uuuA:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MIY_B_B49B2_1
(TYROSINE-PROTEIN
KINASE ITK/TSK)		 5uuu BETA-ADRENERGIC
RECEPTOR KINASE 1
(Homo
sapiens) 		5 / 9 ALA A 218
LYS A 220
MET A 274
LEU A 324
SER A 334
 QRW  A 601 (-3.4A)
QRW  A 601 (-3.0A)
MES  A 604 (-3.9A)
None
QRW  A 601 ( 3.7A)
 0.72A 3miyB-5uuuA:
22.0		 3miyB-5uuuA:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MZE_A_CFXA364_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		6 / 12 ALA A  69
SER A  70
LYS A  73
ASN A 132
THR A 235
GLY A 236
 None
MES  A1000 (-3.1A)
None
None
MES  A1000 (-3.7A)
MES  A1000 (-3.1A)
 0.49A 3mzeA-1hzoA:
21.7		 3mzeA-1hzoA:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N0H_A_TOPA187_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 11 ILE A  13
ALA A  15
PHE A  57
ILE A 121
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.50A 3n0hA-2blbA:
22.3		 3n0hA-2blbA:
29.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N5V_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE)		 2v2f PENICILLIN BINDING
PROTEIN 1A
(Streptococcus
pneumoniae) 		4 / 7 MET F 583
ARG F 366
VAL F 329
GLU F 582
 None
None
None
MES  F1653 (-3.5A)
 1.38A 3n5vA-2v2fF:
undetectable
3n5vB-2v2fF:
undetectable		 3n5vA-2v2fF:
23.81
3n5vB-2v2fF:
23.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N5Y_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE)		 2v2f PENICILLIN BINDING
PROTEIN 1A
(Streptococcus
pneumoniae) 		4 / 7 MET F 583
ARG F 366
VAL F 329
GLU F 582
 None
None
None
MES  F1653 (-3.5A)
 1.34A 3n5yA-2v2fF:
undetectable
3n5yB-2v2fF:
undetectable		 3n5yA-2v2fF:
23.81
3n5yB-2v2fF:
23.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N5Z_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE)		 2v2f PENICILLIN BINDING
PROTEIN 1A
(Streptococcus
pneumoniae) 		4 / 7 MET F 583
ARG F 366
VAL F 329
GLU F 582
 None
None
None
MES  F1653 (-3.5A)
 1.36A 3n5zA-2v2fF:
undetectable
3n5zB-2v2fF:
undetectable		 3n5zA-2v2fF:
23.81
3n5zB-2v2fF:
23.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NRR_A_D16A520_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		5 / 12 ALA A  15
ASP A  53
ILE A 121
PRO A 122
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
None
CP7  A1240 (-4.1A)
 0.44A 3nrrA-2blbA:
23.3		 3nrrA-2blbA:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NRR_B_D16B520_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		5 / 12 ALA A  15
ASP A  53
ILE A 121
PRO A 122
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
None
CP7  A1240 (-4.1A)
 0.44A 3nrrB-2blbA:
24.2		 3nrrB-2blbA:
19.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		9 / 12 SER A  70
SER A 130
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
ASP A 240
 MES  A1000 (-3.1A)
MES  A1000 (-2.7A)
None
MES  A1000 (-3.7A)
MES  A1000 (-2.9A)
MES  A1000 (-3.7A)
MES  A1000 (-3.1A)
None
None
 0.53A 3ny4A-1hzoA:
40.6		 3ny4A-1hzoA:
42.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		 2v2f PENICILLIN BINDING
PROTEIN 1A
(Streptococcus
pneumoniae) 		6 / 12 SER F 428
THR F 543
LYS F 557
THR F 558
GLY F 559
THR F 560
 MES  F1653 (-3.1A)
MES  F1653 (-3.7A)
MES  F1653 ( 4.0A)
MES  F1653 (-3.8A)
MES  F1653 (-3.6A)
MES  F1653 (-3.6A)
 0.70A 3ny4A-2v2fF:
16.4		 3ny4A-2v2fF:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OCT_A_1N1A663_2
(TYROSINE-PROTEIN
KINASE BTK)		 4koo SINGLE-STRANDED
DNA-BINDING PROTEIN
WHY1, CHLOROPLASTIC
(Arabidopsis
thaliana) 		4 / 5 PHE A 140
ILE A 209
ASN A 198
PHE A 192
 MES  A 302 (-4.2A)
None
None
None
 1.39A 3octA-4kooA:
undetectable		 3octA-4kooA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OU6_D_SAMD300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 1tc1 PROTEIN
(HYPOXANTHINE
PHOSPHORIBOSYLTRANSF
ERASE)
(Trypanosoma
cruzi) 		5 / 12 TYR A   5
GLU A  15
GLY A 169
ASP A 112
LEU A 140
 None
None
None
MES  A 800 ( 4.0A)
None
 1.37A 3ou6D-1tc1A:
2.2		 3ou6D-1tc1A:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OU7_B_SAMB300_1
(SAM-DEPENDENT
METHYLTRANSFERASE)		 4c2k 3-KETOACYL-COA
THIOLASE,
MITOCHONDRIAL
(Homo
sapiens) 		3 / 3 TYR A  20
ASP A 255
ASP A  26
 MES  A1401 (-4.7A)
None
None
 0.69A 3ou7B-4c2kA:
undetectable		 3ou7B-4c2kA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PCQ_B_PQNB842_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 3iwr CHITINASE
(Oryza
sativa) 		5 / 11 PHE A 121
ILE A 204
ALA A 241
LEU A 242
ALA A 124
 None
MES  A   1 (-4.6A)
None
None
None
 1.10A 3pcqB-3iwrA:
undetectable		 3pcqB-3iwrA:
17.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q07_A_WPPA300_1
(BETA-LACTAMASE)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		7 / 12 LYS A  73
SER A 130
ASN A 132
ASN A 170
GLY A 236
SER A 237
GLY A 238
 None
MES  A1000 (-2.7A)
None
None
MES  A1000 (-3.1A)
MES  A1000 (-2.7A)
None
 0.74A 3q07A-1hzoA:
46.4		 3q07A-1hzoA:
65.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q07_A_WPPA300_1
(BETA-LACTAMASE)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		8 / 12 LYS A  73
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
GLY A 238
ASP A 240
 None
MES  A1000 (-2.7A)
None
None
MES  A1000 (-2.9A)
MES  A1000 (-3.1A)
None
None
 0.56A 3q07A-1hzoA:
46.4		 3q07A-1hzoA:
65.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q07_A_WPPA300_1
(BETA-LACTAMASE)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		6 / 12 LYS A  73
SER A 130
THR A 171
ASN A 170
LYS A 234
GLY A 236
 None
MES  A1000 (-2.7A)
None
None
MES  A1000 (-2.9A)
MES  A1000 (-3.1A)
 1.45A 3q07A-1hzoA:
46.4		 3q07A-1hzoA:
65.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q07_A_WPPA300_1
(BETA-LACTAMASE)		 2v2f PENICILLIN BINDING
PROTEIN 1A
(Streptococcus
pneumoniae) 		5 / 12 LYS F 373
SER F 428
ASN F 430
LYS F 557
GLY F 559
 None
MES  F1653 (-3.1A)
None
MES  F1653 ( 4.0A)
MES  F1653 (-3.6A)
 0.61A 3q07A-2v2fF:
17.6		 3q07A-2v2fF:
24.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q07_A_WPPA300_2
(BETA-LACTAMASE)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		4 / 5 TYR A 105
PRO A 167
THR A 171
THR A 235
 MES  A1000 (-3.9A)
None
None
MES  A1000 (-3.7A)
 0.39A 3q07A-1hzoA:
46.4		 3q07A-1hzoA:
65.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q07_B_WPPB400_1
(BETA-LACTAMASE)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		9 / 12 LYS A  73
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
SER A 237
GLY A 238
ASP A 240
 None
MES  A1000 (-2.7A)
None
None
MES  A1000 (-2.9A)
MES  A1000 (-3.1A)
MES  A1000 (-2.7A)
None
None
 0.58A 3q07B-1hzoA:
46.5		 3q07B-1hzoA:
65.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q07_B_WPPB400_1
(BETA-LACTAMASE)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		7 / 12 LYS A  73
SER A 130
THR A 171
ASN A 170
LYS A 234
GLY A 236
SER A 237
 None
MES  A1000 (-2.7A)
None
None
MES  A1000 (-2.9A)
MES  A1000 (-3.1A)
MES  A1000 (-2.7A)
 1.44A 3q07B-1hzoA:
46.5		 3q07B-1hzoA:
65.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q07_B_WPPB400_2
(BETA-LACTAMASE)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		4 / 5 TYR A 105
PRO A 167
THR A 171
THR A 235
 MES  A1000 (-3.9A)
None
None
MES  A1000 (-3.7A)
 0.33A 3q07B-1hzoA:
46.5		 3q07B-1hzoA:
65.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q9A_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2v2f PENICILLIN BINDING
PROTEIN 1A
(Streptococcus
pneumoniae) 		4 / 7 MET F 583
ARG F 366
VAL F 329
GLU F 582
 None
None
None
MES  F1653 (-3.5A)
 1.39A 3q9aA-2v2fF:
undetectable
3q9aB-2v2fF:
undetectable		 3q9aA-2v2fF:
23.81
3q9aB-2v2fF:
23.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QFX_A_CP6A602_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ALA A  15
ASP A  53
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 1.49A 3qfxA-2blbA:
20.2		 3qfxA-2blbA:
27.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QFX_A_CP6A602_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ALA A  15
ASP A  53
MET A  54
SER A 120
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.6A)
NDP  A1239 (-3.6A)
None
CP7  A1240 (-4.1A)
 0.83A 3qfxA-2blbA:
20.2		 3qfxA-2blbA:
27.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QFX_B_CP6B702_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ALA A  15
ASP A  53
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 1.47A 3qfxB-2blbA:
20.2		 3qfxB-2blbA:
27.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QFX_B_CP6B702_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		5 / 12 ALA A  15
ASP A  53
MET A  54
SER A 117
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.6A)
NDP  A1239 (-2.9A)
CP7  A1240 (-4.1A)
 1.13A 3qfxB-2blbA:
20.2		 3qfxB-2blbA:
27.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QFX_B_CP6B702_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ALA A  15
ASP A  53
MET A  54
SER A 120
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.6A)
NDP  A1239 (-3.6A)
None
CP7  A1240 (-4.1A)
 0.87A 3qfxB-2blbA:
20.2		 3qfxB-2blbA:
27.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QG2_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		5 / 10 ASP A  53
PHE A  57
SER A 117
ILE A 121
THR A 194
 CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-2.9A)
MES  A1241 ( 4.1A)
CP7  A1240 (-4.1A)
 1.39A 3qg2A-2blbA:
31.4		 3qg2A-2blbA:
30.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QG2_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		9 / 10 ILE A  13
ALA A  15
ASP A  53
MET A  54
PHE A  57
SER A 120
ILE A 121
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.6A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
None
CP7  A1240 (-4.1A)
 0.52A 3qg2A-2blbA:
31.4		 3qg2A-2blbA:
30.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QG2_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		9 / 11 ILE A  13
ALA A  15
ASP A  53
MET A  54
PHE A  57
SER A 120
ILE A 121
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.6A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
None
CP7  A1240 (-4.1A)
 0.37A 3qg2B-2blbA:
30.6		 3qg2B-2blbA:
30.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QGT_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		10 / 10 ILE A  13
ALA A  15
ASP A  53
PHE A  57
SER A 117
SER A 120
ILE A 121
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-2.9A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.47A 3qgtA-2blbA:
31.4		 3qgtA-2blbA:
30.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QGT_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6ffh METABOTROPIC
GLUTAMATE RECEPTOR
5,ENDOLYSIN
(Escherichia
virus
T4;
Homo
sapiens) 		5 / 10 ILE A 636
ALA A 579
ASP A 577
SER A1795
ILE A1799
 OLA  A4004 (-4.6A)
None
None
None
MES  A4005 (-4.1A)
 1.09A 3qgtA-6ffhA:
undetectable		 3qgtA-6ffhA:
8.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QGT_B_CP6B609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		10 / 10 ILE A  13
ALA A  15
ASP A  53
PHE A  57
SER A 117
SER A 120
ILE A 121
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-2.9A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.44A 3qgtB-2blbA:
11.2		 3qgtB-2blbA:
30.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QGT_B_CP6B609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6ffh METABOTROPIC
GLUTAMATE RECEPTOR
5,ENDOLYSIN
(Escherichia
virus
T4;
Homo
sapiens) 		5 / 10 ILE A 636
ALA A 579
ASP A 577
SER A1795
ILE A1799
 OLA  A4004 (-4.6A)
None
None
None
MES  A4005 (-4.1A)
 1.08A 3qgtB-6ffhA:
undetectable		 3qgtB-6ffhA:
8.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QL0_A_FOLA160_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
ILE A 121
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.68A 3ql0A-2blbA:
21.0		 3ql0A-2blbA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QL0_A_FOLA160_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
PHE A  57
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.38A 3ql0A-2blbA:
21.0		 3ql0A-2blbA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QL3_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
ASP A  53
ILE A 121
ARG A 131
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-2.7A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.66A 3ql3A-2blbA:
20.7		 3ql3A-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QX3_A_EVPA1_1
(DNA TOPOISOMERASE
2-BETA)		 6cn7 AEROBACTIN SYNTHASE
IUCC
(Klebsiella
pneumoniae) 		4 / 5 GLY A 383
ASP A 387
ARG A 388
GLN A 399
 None
None
MES  A 600 (-4.7A)
None
 1.47A 3qx3A-6cn7A:
undetectable		 3qx3A-6cn7A:
7.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3R24_A_SAMA302_0
(2'-O-METHYL
TRANSFERASE)		 4aie GLUCAN
1,6-ALPHA-GLUCOSIDAS
E
(Lactobacillus
acidophilus) 		5 / 12 GLY A 325
SER A 497
PRO A 529
LEU A 285
ASP A 272
 None
None
MES  A1539 (-4.1A)
None
None
 1.36A 3r24A-4aieA:
undetectable		 3r24A-4aieA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3R9T_C_BEZC264_0
(ECHA1_1)		 6anv ANTI-CRISPR PROTEIN
ACRF1 FUSED WITH
C-TERMINAL MBP TAG
(Escherichia
coli;
Pseudomonas
phage
JBD30) 		4 / 5 ALA A  41
GLU A  31
ALA A  18
MET A   1
 MES  A 502 (-4.6A)
None
None
PEG  A 509 ( 4.2A)
 1.29A 3r9tC-6anvA:
undetectable		 3r9tC-6anvA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3REM_A_SALA301_1
(SALICYLATE
BIOSYNTHESIS PROTEIN
PCHB)		 2z36 CYTOCHROME P450 TYPE
COMPACTIN
3'',4''-HYDROXYLASE
(Nonomuraea
recticatena) 		4 / 8 ARG A  18
VAL A 295
TYR A 398
ILE A 397
 None
MES  A4574 ( 4.0A)
None
None
 0.99A 3remA-2z36A:
1.4		 3remA-2z36A:
12.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3REM_B_SALB301_1
(SALICYLATE
BIOSYNTHESIS PROTEIN
PCHB)		 2z36 CYTOCHROME P450 TYPE
COMPACTIN
3'',4''-HYDROXYLASE
(Nonomuraea
recticatena) 		4 / 8 ARG A  18
VAL A 295
TYR A 398
ILE A 397
 None
MES  A4574 ( 4.0A)
None
None
 0.97A 3remB-2z36A:
1.4		 3remB-2z36A:
12.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3V_A_TOPA187_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
PHE A  57
ILE A 121
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.50A 3s3vA-2blbA:
22.2		 3s3vA-2blbA:
29.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SH8_A_CEDA1_1
(BETA-LACTAMASE)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		8 / 12 ALA A  69
SER A  70
TYR A 105
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
 None
MES  A1000 (-3.1A)
MES  A1000 (-3.9A)
MES  A1000 (-2.7A)
None
MES  A1000 (-2.9A)
MES  A1000 (-3.7A)
MES  A1000 (-3.1A)
 0.22A 3sh8A-1hzoA:
40.3		 3sh8A-1hzoA:
42.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SH8_B_CEDB1_1
(BETA-LACTAMASE)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		8 / 12 ALA A  69
SER A  70
LYS A  73
SER A 130
ASN A 132
LYS A 234
GLY A 236
TYR A 274
 None
MES  A1000 (-3.1A)
None
MES  A1000 (-2.7A)
None
MES  A1000 (-2.9A)
MES  A1000 (-3.1A)
None
 0.85A 3sh8B-1hzoA:
40.0		 3sh8B-1hzoA:
42.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUE_B_SUEB1201_2
(NS3 PROTEASE, NS4A
PROTEIN)		 2b81 LUCIFERASE-LIKE
MONOOXYGENASE
(Bacillus
cereus) 		3 / 3 PHE A 123
TYR A  87
LEU A 129
 None
MES  A2403 (-4.7A)
None
 0.74A 3sueB-2b81A:
undetectable		 3sueB-2b81A:
18.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T01_A_PPFA503_1
(PHOSPHONOACETATE
HYDROLASE)		 2zm2 6-AMINOHEXANOATE-DIM
ER HYDROLASE
(Flavobacterium
sp.) 		4 / 7 THR A 197
ASP A 221
HIS A 266
HIS A 180
 None
None
MES  A 504 (-4.0A)
MES  A 504 (-4.2A)
 0.96A 3t01A-2zm2A:
undetectable		 3t01A-2zm2A:
24.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T3S_A_9PLA1_1
(CYTOCHROME P450 2A13)		 5x6s ACETYLXYLAN ESTERASE
A
(Aspergillus
awamori) 		5 / 9 PHE A  62
ALA A  54
PHE A 272
ALA A  36
THR A 116
 None
MES  A 303 ( 4.5A)
None
None
None
 1.47A 3t3sA-5x6sA:
undetectable		 3t3sA-5x6sA:
18.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TQ8_A_TOPA2001_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		9 / 9 ILE A  13
ALA A  15
LEU A  45
ASP A  53
PHE A  57
SER A 120
ILE A 121
ILE A 173
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
CP7  A1240 ( 3.8A)
CP7  A1240 (-4.1A)
 0.69A 3tq8A-2blbA:
20.1		 3tq8A-2blbA:
26.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TQ8_A_TOPA2001_1
(DIHYDROFOLATE
REDUCTASE)		 6ffh METABOTROPIC
GLUTAMATE RECEPTOR
5,ENDOLYSIN
(Escherichia
virus
T4;
Homo
sapiens) 		5 / 9 ILE A 636
ALA A 579
ASP A 577
SER A1795
ILE A1799
 OLA  A4004 (-4.6A)
None
None
None
MES  A4005 (-4.1A)
 1.16A 3tq8A-6ffhA:
undetectable		 3tq8A-6ffhA:
18.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TQ9_A_MTXA2001_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		10 / 12 ILE A  13
ALA A  15
LEU A  45
ASP A  53
SER A 120
ILE A 121
LEU A 128
ARG A 131
ILE A 173
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 ( 3.8A)
CP7  A1240 (-4.1A)
 0.75A 3tq9A-2blbA:
20.2		 3tq9A-2blbA:
26.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TQB_A_FOLA2001_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 11 ALA A  15
LEU A  45
ASP A  53
ILE A 121
LEU A 128
ARG A 131
ILE A 173
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 ( 3.8A)
CP7  A1240 (-4.1A)
 0.71A 3tqbA-2blbA:
20.1		 3tqbA-2blbA:
26.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UM5_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 10 ILE A  13
ASP A  53
PHE A  57
SER A 120
ILE A 121
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.34A 3um5A-2blbA:
31.3		 3um5A-2blbA:
30.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UM5_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 10 ILE A  13
ASP A  53
PHE A  57
SER A 120
ILE A 121
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.34A 3um5B-2blbA:
30.3		 3um5B-2blbA:
30.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UQ6_B_ADNB401_2
(ADENOSINE KINASE,
PUTATIVE)		 3m1u PUTATIVE
GAMMA-D-GLUTAMYL-L-D
IAMINO ACID
ENDOPEPTIDASE
(Desulfovibrio
vulgaris) 		4 / 5 LEU A 327
GLY A 325
PHE A 178
ASN A 409
 None
GOL  A   1 ( 3.8A)
MES  A  14 (-4.1A)
None
 1.26A 3uq6B-3m1uA:
undetectable		 3uq6B-3m1uA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UQ6_B_ADNB401_2
(ADENOSINE KINASE,
PUTATIVE)		 3m1u PUTATIVE
GAMMA-D-GLUTAMYL-L-D
IAMINO ACID
ENDOPEPTIDASE
(Desulfovibrio
vulgaris) 		4 / 5 LEU A 327
GLY A 326
PHE A 178
ASN A 409
 None
None
MES  A  14 (-4.1A)
None
 0.74A 3uq6B-3m1uA:
undetectable		 3uq6B-3m1uA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UZZ_B_ASDB501_1
(3-OXO-5-BETA-STEROID
4-DEHYDROGENASE)		 5x7s GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE
(Paenibacillus
sp.
598K) 		4 / 8 TYR A 373
TYR A1267
HIS A1181
LEU A1165
 MES  A1707 (-3.6A)
MES  A1707 (-4.4A)
None
None
 0.91A 3uzzB-5x7sA:
undetectable		 3uzzB-5x7sA:
14.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3V5W_A_8PRA701_2
(G-PROTEIN COUPLED
RECEPTOR KINASE 2)		 5uuu BETA-ADRENERGIC
RECEPTOR KINASE 1
(Homo
sapiens) 		3 / 3 LEU A 271
MET A 274
ASP A 278
 QRW  A 601 ( 4.9A)
MES  A 604 (-3.9A)
None
 0.19A 3v5wA-5uuuA:
54.6		 3v5wA-5uuuA:
95.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3VWP_A_ACAA503_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 2zm2 6-AMINOHEXANOATE-DIM
ER HYDROLASE
(Flavobacterium
sp.) 		7 / 10 MET A 111
LYS A 115
TRP A 186
TYR A 215
SER A 217
GLY A 344
ILE A 345
 MES  A 504 (-3.8A)
MES  A 504 (-3.1A)
MES  A 504 (-4.0A)
GOL  A 505 ( 4.4A)
MES  A 504 ( 2.7A)
MES  A 501 (-3.5A)
MES  A 504 ( 3.7A)
 0.20A 3vwpA-2zm2A:
68.8		 3vwpA-2zm2A:
97.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3VWQ_A_ACAA601_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 2zm2 6-AMINOHEXANOATE-DIM
ER HYDROLASE
(Flavobacterium
sp.) 		7 / 12 MET A 111
LYS A 115
TRP A 186
TYR A 215
SER A 217
GLY A 344
ILE A 345
 MES  A 504 (-3.8A)
MES  A 504 (-3.1A)
MES  A 504 (-4.0A)
GOL  A 505 ( 4.4A)
MES  A 504 ( 2.7A)
MES  A 501 (-3.5A)
MES  A 504 ( 3.7A)
 0.19A 3vwqA-2zm2A:
68.6		 3vwqA-2zm2A:
97.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3VWQ_A_ACAA601_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 2zm2 6-AMINOHEXANOATE-DIM
ER HYDROLASE
(Flavobacterium
sp.) 		7 / 12 MET A 111
LYS A 115
TYR A 170
TYR A 215
SER A 217
GLY A 344
ILE A 345
 MES  A 504 (-3.8A)
MES  A 504 (-3.1A)
None
GOL  A 505 ( 4.4A)
MES  A 504 ( 2.7A)
MES  A 501 (-3.5A)
MES  A 504 ( 3.7A)
 1.46A 3vwqA-2zm2A:
68.6		 3vwqA-2zm2A:
97.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3VWR_A_ACAA601_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 2zm2 6-AMINOHEXANOATE-DIM
ER HYDROLASE
(Flavobacterium
sp.) 		7 / 11 MET A 111
LYS A 115
TRP A 186
TYR A 215
SER A 217
GLY A 344
ILE A 345
 MES  A 504 (-3.8A)
MES  A 504 (-3.1A)
MES  A 504 (-4.0A)
GOL  A 505 ( 4.4A)
MES  A 504 ( 2.7A)
MES  A 501 (-3.5A)
MES  A 504 ( 3.7A)
 0.19A 3vwrA-2zm2A:
68.7		 3vwrA-2zm2A:
97.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W1W_A_CHDA1502_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3l6a EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4
GAMMA 2
(Homo
sapiens) 		5 / 12 LEU A  89
LEU A 128
ILE A  49
VAL A 162
VAL A 119
 None
None
None
MES  A 361 (-3.6A)
None
 1.15A 3w1wA-3l6aA:
undetectable		 3w1wA-3l6aA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W1W_B_CHDB504_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3l6a EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4
GAMMA 2
(Homo
sapiens) 		5 / 12 LEU A  89
LEU A 128
ILE A  49
VAL A 162
VAL A 119
 None
None
None
MES  A 361 (-3.6A)
None
 1.23A 3w1wB-3l6aA:
undetectable		 3w1wB-3l6aA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WDM_B_ADNB301_1
(4-PHOSPHOPANTOATE--B
ETA-ALANINE LIGASE)		 2j8k NP275-NP276
(Nostoc
punctiforme) 		5 / 10 ALA A 140
LEU A 127
LEU A 137
LEU A  97
ASN A  98
 None
None
None
None
MES  A1176 (-2.7A)
 1.05A 3wdmB-2j8kA:
undetectable		 3wdmB-2j8kA:
24.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WDM_D_ADND301_1
(4-PHOSPHOPANTOATE--B
ETA-ALANINE LIGASE)		 2j8k NP275-NP276
(Nostoc
punctiforme) 		5 / 10 ALA A 140
LEU A 127
LEU A 137
LEU A  97
ASN A  98
 None
None
None
None
MES  A1176 (-2.7A)
 0.97A 3wdmD-2j8kA:
undetectable		 3wdmD-2j8kA:
24.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WG7_B_CHDB303_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 1wk4 TTK003001606
(Thermus
thermophilus) 		5 / 11 GLN A 101
THR A  21
THR A  25
PHE A 139
GLY A 136
 None
None
None
MES  A 201 ( 4.3A)
MES  A 201 (-3.3A)
 1.15A 3wg7A-1wk4A:
undetectable
3wg7B-1wk4A:
0.0
3wg7T-1wk4A:
0.0		 3wg7A-1wk4A:
14.65
3wg7B-1wk4A:
21.15
3wg7T-1wk4A:
18.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WIP_D_ACHD301_0
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 2ddt SPHINGOMYELIN
PHOSPHODIESTERASE
(Bacillus
cereus) 		4 / 8 TYR A 242
THR A 282
TYR A 290
TRP A  28
 MES  A 313 (-4.0A)
None
MES  A 313 (-4.6A)
MES  A 313 (-3.5A)
 1.45A 3wipD-2ddtA:
undetectable
3wipE-2ddtA:
0.0		 3wipD-2ddtA:
21.97
3wipE-2ddtA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3X2Q_B_CHDB302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 1wk4 TTK003001606
(Thermus
thermophilus) 		5 / 11 GLN A 101
THR A  21
THR A  25
PHE A 139
GLY A 136
 None
None
None
MES  A 201 ( 4.3A)
MES  A 201 (-3.3A)
 1.14A 3x2qA-1wk4A:
undetectable
3x2qB-1wk4A:
0.0
3x2qT-1wk4A:
0.0		 3x2qA-1wk4A:
14.65
3x2qB-1wk4A:
21.15
3x2qT-1wk4A:
18.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZBF_A_VGHA3000_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ROS)		 5uuu BETA-ADRENERGIC
RECEPTOR KINASE 1
(Homo
sapiens) 		6 / 12 ALA A 218
LEU A 271
LEU A 273
MET A 274
ASP A 278
ASP A 335
 QRW  A 601 (-3.4A)
QRW  A 601 ( 4.9A)
None
MES  A 604 (-3.9A)
None
QRW  A 601 (-3.7A)
 0.74A 3zbfA-5uuuA:
23.4		 3zbfA-5uuuA:
23.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZBF_A_VGHA3000_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ROS)		 5uuu BETA-ADRENERGIC
RECEPTOR KINASE 1
(Homo
sapiens) 		6 / 12 ALA A 218
LEU A 273
MET A 274
ASP A 278
LEU A 324
ASP A 335
 QRW  A 601 (-3.4A)
None
MES  A 604 (-3.9A)
None
None
QRW  A 601 (-3.7A)
 0.85A 3zbfA-5uuuA:
23.4		 3zbfA-5uuuA:
23.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZS3_A_ACTA1226_0
(THAUMATIN-LIKE
PROTEIN)		 5jip CORTICAL-LYTIC
ENZYME
(Clostridium
perfringens) 		4 / 5 GLU A 115
TYR A  73
ASP A 113
ASN A  20
 MES  A 401 ( 2.7A)
MES  A 401 (-3.2A)
MES  A 401 (-2.8A)
MES  A 401 (-3.8A)
 1.11A 3zs3A-5jipA:
0.0		 3zs3A-5jipA:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A97_D_ZPCD1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 2iuy GLYCOSYLTRANSFERASE
(Streptomyces
viridochromogene
s) 		4 / 8 TYR A  39
VAL A 230
ILE A 227
GLU A 270
 None
MES  A1353 (-3.4A)
None
None
 1.05A 4a97C-2iuyA:
undetectable		 4a97C-2iuyA:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A97_H_ZPCH1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 2iuy GLYCOSYLTRANSFERASE
(Streptomyces
viridochromogene
s) 		4 / 8 TYR A  39
VAL A 230
ILE A 227
GLU A 270
 None
MES  A1353 (-3.4A)
None
None
 1.04A 4a97G-2iuyA:
undetectable		 4a97G-2iuyA:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AC9_C_DXCC1476_0
(MJ0495-LIKE PROTEIN)		 6frl TRYPTOPHAN
HALOGENASE
SUPERFAMILY
(Brevundimonas
sp.
BAL3) 		4 / 5 ILE A  39
ALA A 178
HIS A  31
ARG A  33
 MES  A 602 (-4.2A)
None
None
None
 1.35A 4ac9B-6frlA:
undetectable
4ac9C-6frlA:
undetectable		 4ac9B-6frlA:
undetectable
4ac9C-6frlA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AE1_A_NCAA1536_0
(DIPHTHERIA TOXIN)		 3hmc PUTATIVE PROPHAGE
LAMBDABA04, GLYCOSYL
HYDROLASE, FAMILY 25
(Bacillus
anthracis) 		4 / 6 TYR A 124
ALA A  62
TYR A  61
GLU A  95
 MES  A 400 (-3.6A)
None
MES  A 400 (-4.0A)
MES  A 400 (-3.5A)
 0.87A 4ae1A-3hmcA:
undetectable		 4ae1A-3hmcA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ARC_A_LEUA1001_0
(LEUCINE--TRNA LIGASE)		 2w1k PUTATIVE SORTASE
(Streptococcus
pneumoniae) 		4 / 7 LEU A 132
SER A  59
TYR A 167
HIS A 124
 MES  A1243 (-3.6A)
None
None
None
 1.37A 4arcA-2w1kA:
undetectable		 4arcA-2w1kA:
15.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BJC_A_RPBA2162_1
(TANKYRASE-2)		 4c2k 3-KETOACYL-COA
THIOLASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 8 HIS A 222
GLY A 252
ALA A 347
SER A 251
GLU A 321
 None
MES  A1401 (-3.5A)
None
None
None
 1.49A 4bjcA-4c2kA:
undetectable		 4bjcA-4c2kA:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BLV_A_SAMA1281_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)		 2cbm NEOCARZINOSTATIN
(Streptomyces
carzinostaticus) 		5 / 12 LEU A  26
GLY A 102
LEU A  97
ASP A  99
GLY A 107
 None
MES  A1113 (-4.5A)
None
None
MES  A1113 ( 4.2A)
 1.14A 4blvA-2cbmA:
undetectable		 4blvA-2cbmA:
19.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BQF_B_QPSB951_1
(ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC)		 3ek1 ALDEHYDE
DEHYDROGENASE
(Brucella
abortus) 		4 / 8 MET A 436
GLU A 462
LYS A 167
ARG A 166
 None
None
None
MES  A 485 (-3.4A)
 1.18A 4bqfB-3ek1A:
3.1		 4bqfB-3ek1A:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BQT_C_C5EC301_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 2gxf HYPOTHETICAL PROTEIN
YYBH
(Bacillus
subtilis) 		4 / 8 VAL A  35
TYR A 104
CYH A 116
ILE A 118
 None
MES  A 201 (-3.3A)
MES  A 201 ( 4.0A)
None
 1.22A 4bqtC-2gxfA:
undetectable
4bqtD-2gxfA:
undetectable		 4bqtC-2gxfA:
19.91
4bqtD-2gxfA:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BUP_B_SAMB500_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 4xq2 CALE6
(Micromonospora
echinospora) 		3 / 3 HIS A 339
GLU A 332
ASN A 147
 None
None
MES  A 401 ( 4.8A)
 1.02A 4bupB-4xq2A:
undetectable		 4bupB-4xq2A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C8B_A_0LIA1000_2
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)		 5uuu BETA-ADRENERGIC
RECEPTOR KINASE 1
(Homo
sapiens) 		4 / 5 VAL A 205
ILE A 254
MET A 274
ILE A 333
 QRW  A 601 (-4.7A)
None
MES  A 604 (-3.9A)
None
 0.62A 4c8bA-5uuuA:
21.9		 4c8bA-5uuuA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CD2_A_FOLA207_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
PHE A  57
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.33A 4cd2A-2blbA:
19.9		 4cd2A-2blbA:
28.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CPN_A_ZMRA700_1
(NEURAMINIDASE)		 3imk PUTATIVE MOLYBDENUM
CARRIER PROTEIN
(Syntrophus
aciditrophicus) 		5 / 12 ARG A  65
ASP A  19
ALA A 138
GLU A  44
TYR A  62
 GOL  A 158 (-3.2A)
GOL  A 158 (-2.9A)
MES  A 160 (-3.6A)
None
None
 1.20A 4cpnA-3imkA:
undetectable		 4cpnA-3imkA:
14.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTK_C_SAMC1263_0
(POLYPROTEIN)		 3eo4 UNCHARACTERIZED
PROTEIN MJ1062
(Methanocaldococc
us
jannaschii) 		5 / 12 SER A 449
GLY A 446
GLY A 436
GLY A 417
ILE A 374
 None
MES  A   2 (-3.7A)
None
None
None
 0.83A 4ctkC-3eo4A:
undetectable		 4ctkC-3eo4A:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D7H_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE OXYGENASE)		 4tkt AT-LESS POLYKETIDE
SYNTHASE
(Streptomyces
platensis) 		3 / 3 ARG A3230
THR A3749
TRP A3747
 None
None
MES  A4004 (-3.5A)
 0.96A 4d7hA-4tktA:
undetectable		 4d7hA-4tktA:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D7H_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE OXYGENASE)		 4tkt AT-LESS POLYKETIDE
SYNTHASE
(Streptomyces
platensis) 		3 / 3 ARG A3745
THR A3749
TRP A3747
 MES  A4004 ( 4.7A)
None
MES  A4004 (-3.5A)
 0.75A 4d7hA-4tktA:
undetectable		 4d7hA-4tktA:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DFR_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ILE A  13
ALA A  15
ASP A  53
ILE A 121
LEU A 128
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
 0.72A 4dfrA-2blbA:
19.4		 4dfrA-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DFR_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
ASP A  53
SER A 120
LEU A 128
ARG A 131
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
NDP  A1239 (-3.6A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.62A 4dfrA-2blbA:
19.4		 4dfrA-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DFR_B_MTXB162_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		9 / 12 ILE A  13
ALA A  15
ASP A  53
ILE A 121
LEU A 128
ARG A 131
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.64A 4dfrB-2blbA:
19.8		 4dfrB-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ECK_A_FOLA703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ALA A  15
LEU A  45
PHE A  57
SER A  58
LEU A 128
ARG A 131
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 ( 4.1A)
MES  A1241 (-3.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 (-4.1A)
 0.62A 4eckA-2blbA:
20.8		 4eckA-2blbA:
15.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ECK_B_FOLB703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ALA A  15
LEU A  45
ASP A  53
PHE A  57
SER A  58
LEU A 128
ARG A 131
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
MES  A1241 (-3.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 (-4.1A)
 0.70A 4eckB-2blbA:
20.5		 4eckB-2blbA:
15.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EIL_A_FOLA703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 11 ALA A  15
ASP A  53
SER A  58
LEU A 128
ARG A 131
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 (-4.1A)
 0.37A 4eilA-2blbA:
23.0		 4eilA-2blbA:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EIL_B_FOLB703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 10 ALA A  15
ASP A  53
SER A  58
LEU A 128
ARG A 131
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 (-4.1A)
 0.42A 4eilB-2blbA:
22.2		 4eilB-2blbA:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EIL_C_FOLC703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 11 ALA A  15
ASP A  53
SER A  58
LEU A 128
ARG A 131
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 (-4.1A)
 0.39A 4eilC-2blbA:
23.0		 4eilC-2blbA:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EIL_D_FOLD703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		5 / 10 ALA A  15
ASP A  53
SER A  58
ARG A 131
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.1A)
MES  A1241 (-2.7A)
CP7  A1240 (-4.1A)
 0.39A 4eilD-2blbA:
21.4		 4eilD-2blbA:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EIL_E_FOLE703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 11 ALA A  15
ASP A  53
SER A  58
LEU A 128
ARG A 131
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 (-4.1A)
 0.35A 4eilE-2blbA:
23.6		 4eilE-2blbA:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EIL_F_FOLF703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 9 ALA A  15
ASP A  53
SER A  58
LEU A 128
ARG A 131
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 (-4.1A)
 0.36A 4eilF-2blbA:
21.5		 4eilF-2blbA:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EIL_G_FOLG703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 10 ALA A  15
ASP A  53
SER A  58
LEU A 128
ARG A 131
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 (-4.1A)
 0.38A 4eilG-2blbA:
23.1		 4eilG-2blbA:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EIL_H_FOLH703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		5 / 9 ALA A  15
ASP A  53
SER A  58
ARG A 131
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.1A)
MES  A1241 (-2.7A)
CP7  A1240 (-4.1A)
 0.38A 4eilH-2blbA:
15.1		 4eilH-2blbA:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EJ1_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
PHE A  57
ILE A 121
LEU A 128
ILE A 173
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
 0.69A 4ej1A-2blbA:
18.8		 4ej1A-2blbA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EJ1_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
PHE A  57
ILE A 121
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.66A 4ej1B-2blbA:
18.7		 4ej1B-2blbA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EQ4_A_SALA601_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)		 3juu PORPHYRANASE B
(Zobellia
galactanivorans) 		4 / 7 ARG A 187
ILE A 141
THR A 154
GLY A 144
 SO4  A   7 (-3.9A)
MES  A   1 (-4.0A)
SO4  A   7 ( 4.2A)
None
 0.91A 4eq4A-3juuA:
undetectable		 4eq4A-3juuA:
18.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EQL_A_SALA602_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)		 3juu PORPHYRANASE B
(Zobellia
galactanivorans) 		4 / 7 ARG A 187
ILE A 141
THR A 154
GLY A 144
 SO4  A   7 (-3.9A)
MES  A   1 (-4.0A)
SO4  A   7 ( 4.2A)
None
 0.89A 4eqlA-3juuA:
undetectable		 4eqlA-3juuA:
18.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EQL_B_SALB602_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)		 3juu PORPHYRANASE B
(Zobellia
galactanivorans) 		4 / 7 ARG A 187
ILE A 141
THR A 154
GLY A 144
 SO4  A   7 (-3.9A)
MES  A   1 (-4.0A)
SO4  A   7 ( 4.2A)
None
 0.94A 4eqlB-3juuA:
undetectable		 4eqlB-3juuA:
18.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EUZ_A_MEMA401_1
(CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		8 / 12 LYS A  73
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
 None
MES  A1000 (-2.7A)
None
None
MES  A1000 (-3.7A)
MES  A1000 (-2.9A)
MES  A1000 (-3.7A)
MES  A1000 (-3.1A)
 0.47A 4euzA-1hzoA:
42.9		 4euzA-1hzoA:
48.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EUZ_A_MEMA401_1
(CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1)		 2v2f PENICILLIN BINDING
PROTEIN 1A
(Streptococcus
pneumoniae) 		7 / 12 LYS F 373
SER F 428
ASN F 430
THR F 543
LYS F 557
THR F 558
GLY F 559
 None
MES  F1653 (-3.1A)
None
MES  F1653 (-3.7A)
MES  F1653 ( 4.0A)
MES  F1653 (-3.8A)
MES  F1653 (-3.6A)
 0.85A 4euzA-2v2fF:
17.7		 4euzA-2v2fF:
24.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EUZ_A_MEMA401_1
(CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1)		 2v2f PENICILLIN BINDING
PROTEIN 1A
(Streptococcus
pneumoniae) 		7 / 12 LYS F 373
SER F 428
THR F 543
LYS F 557
THR F 558
GLY F 559
THR F 560
 None
MES  F1653 (-3.1A)
MES  F1653 (-3.7A)
MES  F1653 ( 4.0A)
MES  F1653 (-3.8A)
MES  F1653 (-3.6A)
MES  F1653 (-3.6A)
 0.95A 4euzA-2v2fF:
17.7		 4euzA-2v2fF:
24.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEU_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5b8i SERINE/THREONINE-PRO
TEIN PHOSPHATASE
(Coccidioides
immitis) 		4 / 7 ASP A 139
ASP A 136
ASN A 168
GLU A 170
 None
ZN  A 401 (-2.7A)
MES  A 403 ( 2.4A)
None
 1.18A 4feuB-5b8iA:
undetectable		 4feuB-5b8iA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEV_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5b8i SERINE/THREONINE-PRO
TEIN PHOSPHATASE
(Coccidioides
immitis) 		4 / 7 ASP A 139
ASP A 136
ASN A 168
GLU A 170
 None
ZN  A 401 (-2.7A)
MES  A 403 ( 2.4A)
None
 1.21A 4fevD-5b8iA:
undetectable		 4fevD-5b8iA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEV_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5b8i SERINE/THREONINE-PRO
TEIN PHOSPHATASE
(Coccidioides
immitis) 		4 / 7 ASP A 139
ASP A 136
ASN A 168
GLU A 170
 None
ZN  A 401 (-2.7A)
MES  A 403 ( 2.4A)
None
 1.20A 4fevF-5b8iA:
undetectable		 4fevF-5b8iA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEW_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5b8i SERINE/THREONINE-PRO
TEIN PHOSPHATASE
(Coccidioides
immitis) 		4 / 8 ASP A 139
ASP A 136
ASN A 168
GLU A 170
 None
ZN  A 401 (-2.7A)
MES  A 403 ( 2.4A)
None
 1.20A 4fewD-5b8iA:
undetectable		 4fewD-5b8iA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEW_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5b8i SERINE/THREONINE-PRO
TEIN PHOSPHATASE
(Coccidioides
immitis) 		4 / 8 ASP A 139
ASP A 136
ASN A 168
GLU A 170
 None
ZN  A 401 (-2.7A)
MES  A 403 ( 2.4A)
None
 1.19A 4fewF-5b8iA:
undetectable		 4fewF-5b8iA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEX_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5b8i SERINE/THREONINE-PRO
TEIN PHOSPHATASE
(Coccidioides
immitis) 		4 / 7 ASP A 139
ASP A 136
ASN A 168
GLU A 170
 None
ZN  A 401 (-2.7A)
MES  A 403 ( 2.4A)
None
 1.20A 4fexB-5b8iA:
undetectable		 4fexB-5b8iA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FFW_A_715A801_1
(DIPEPTIDYL PEPTIDASE
4)		 2iuy GLYCOSYLTRANSFERASE
(Streptomyces
viridochromogene
s) 		5 / 12 GLY A  38
SER A 269
VAL A 273
TYR A 162
VAL A 157
 MES  A1353 ( 3.7A)
None
None
None
None
 1.36A 4ffwA-2iuyA:
3.1		 4ffwA-2iuyA:
18.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FFW_B_715B801_1
(DIPEPTIDYL PEPTIDASE
4)		 2iuy GLYCOSYLTRANSFERASE
(Streptomyces
viridochromogene
s) 		5 / 12 GLY A  38
SER A 269
VAL A 273
TYR A 162
VAL A 157
 MES  A1353 ( 3.7A)
None
None
None
None
 1.35A 4ffwB-2iuyA:
4.6		 4ffwB-2iuyA:
18.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FH2_A_0RNA303_1
(BETA-LACTAMASE SHV-1)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		6 / 10 SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
ALA A  69
 MES  A1000 (-2.7A)
None
MES  A1000 (-2.9A)
MES  A1000 (-3.7A)
MES  A1000 (-3.1A)
None
 1.49A 4fh2A-1hzoA:
36.2		 4fh2A-1hzoA:
38.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FH2_A_0RNA303_1
(BETA-LACTAMASE SHV-1)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		6 / 10 TYR A 105
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
 MES  A1000 (-3.9A)
MES  A1000 (-2.7A)
None
MES  A1000 (-2.9A)
MES  A1000 (-3.7A)
MES  A1000 (-3.1A)
 0.56A 4fh2A-1hzoA:
36.2		 4fh2A-1hzoA:
38.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FH2_A_0RNA303_1
(BETA-LACTAMASE SHV-1)		 2v2f PENICILLIN BINDING
PROTEIN 1A
(Streptococcus
pneumoniae) 		5 / 10 SER F 428
ASN F 430
LYS F 557
THR F 558
GLY F 559
 MES  F1653 (-3.1A)
None
MES  F1653 ( 4.0A)
MES  F1653 (-3.8A)
MES  F1653 (-3.6A)
 0.70A 4fh2A-2v2fF:
16.6		 4fh2A-2v2fF:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FHB_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		9 / 12 ILE A  13
ALA A  15
PHE A  57
ILE A 121
LEU A 128
ARG A 131
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.66A 4fhbA-2blbA:
19.7		 4fhbA-2blbA:
24.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FR8_A_TNGA601_1
(ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL)		 4lih GAMMA-GLUTAMYL-GAMMA
-AMINOBUTYRALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		6 / 11 ASN A 168
PHE A 169
LEU A 172
MET A 173
TRP A 176
CYH A 301
 MES  A 501 (-3.6A)
MES  A 501 (-3.8A)
None
MES  A 501 ( 4.1A)
None
MES  A 501 (-3.7A)
 0.52A 4fr8A-4lihA:
58.1		 4fr8A-4lihA:
43.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FR8_A_TNGA601_1
(ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL)		 4lih GAMMA-GLUTAMYL-GAMMA
-AMINOBUTYRALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		6 / 11 ASN A 168
PHE A 169
MET A 173
TRP A 176
CYH A 301
ASP A 456
 MES  A 501 (-3.6A)
MES  A 501 (-3.8A)
MES  A 501 ( 4.1A)
None
MES  A 501 (-3.7A)
MES  A 501 (-2.9A)
 0.92A 4fr8A-4lihA:
58.1		 4fr8A-4lihA:
43.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GC9_A_SAMA401_1
(DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL)		 1vhm PROTEIN YEBR
(Escherichia
coli) 		3 / 3 GLU A 125
ASP A 143
ASP A 108
 MES  A 194 (-3.2A)
MES  A 194 (-4.0A)
None
 0.67A 4gc9A-1vhmA:
undetectable		 4gc9A-1vhmA:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GH8_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ALA A  15
ASP A  53
SER A 117
ILE A 121
LEU A 128
ARG A 131
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
NDP  A1239 (-2.9A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
 1.43A 4gh8A-2blbA:
21.3		 4gh8A-2blbA:
24.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GH8_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		9 / 12 ILE A  13
ALA A  15
ASP A  53
SER A 120
ILE A 121
PRO A 122
LEU A 128
ARG A 131
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
None
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.64A 4gh8A-2blbA:
21.3		 4gh8A-2blbA:
24.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GH8_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
ASP A  53
SER A 120
ILE A 121
PRO A 122
ARG A 131
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
None
MES  A1241 (-2.7A)
None
 0.64A 4gh8B-2blbA:
21.1		 4gh8B-2blbA:
24.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKH_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5b8i SERINE/THREONINE-PRO
TEIN PHOSPHATASE
(Coccidioides
immitis) 		4 / 8 ASP A 139
ASP A 136
ASN A 168
GLU A 170
 None
ZN  A 401 (-2.7A)
MES  A 403 ( 2.4A)
None
 1.21A 4gkhB-5b8iA:
undetectable		 4gkhB-5b8iA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKH_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2pd0 HYPOTHETICAL PROTEIN
(Cryptosporidium
parvum) 		4 / 8 ASP A 137
CYH A 133
GLU A  89
GLU A 127
 None
None
None
MES  A 502 (-3.1A)
 1.07A 4gkhD-2pd0A:
undetectable		 4gkhD-2pd0A:
23.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKH_G_KANG301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5b8i SERINE/THREONINE-PRO
TEIN PHOSPHATASE
(Coccidioides
immitis) 		4 / 7 ASP A 139
ASP A 136
ASN A 168
GLU A 170
 None
ZN  A 401 (-2.7A)
MES  A 403 ( 2.4A)
None
 1.19A 4gkhG-5b8iA:
undetectable		 4gkhG-5b8iA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKI_A_KANA301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5b8i SERINE/THREONINE-PRO
TEIN PHOSPHATASE
(Coccidioides
immitis) 		4 / 8 ASP A 139
ASP A 136
ASN A 168
GLU A 170
 None
ZN  A 401 (-2.7A)
MES  A 403 ( 2.4A)
None
 1.20A 4gkiA-5b8iA:
undetectable		 4gkiA-5b8iA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKI_C_KANC301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5b8i SERINE/THREONINE-PRO
TEIN PHOSPHATASE
(Coccidioides
immitis) 		4 / 8 ASP A 139
ASP A 136
ASN A 168
GLU A 170
 None
ZN  A 401 (-2.7A)
MES  A 403 ( 2.4A)
None
 1.18A 4gkiC-5b8iA:
undetectable		 4gkiC-5b8iA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I13_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
PHE A  57
ILE A 121
LEU A 128
ILE A 173
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
 0.65A 4i13A-2blbA:
19.0		 4i13A-2blbA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I13_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		3 / 3 ASP A  53
ARG A 131
THR A 194
 CP7  A1240 (-3.1A)
MES  A1241 (-2.7A)
CP7  A1240 (-4.1A)
 0.30A 4i13A-2blbA:
19.0		 4i13A-2blbA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I1N_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 11 ILE A  13
ALA A  15
ASP A  53
PHE A  57
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.44A 4i1nA-2blbA:
19.0		 4i1nA-2blbA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IIL_A_RBFA401_1
(MEMBRANE LIPOPROTEIN
TPN38(B))		 2atm HYALURONOGLUCOSAMINI
DASE
(Vespula
vulgaris) 		5 / 12 TYR A 182
TRP A 210
ALA A 157
GLY A 178
ASP A 107
 None
None
None
None
MES  A 500 (-3.6A)
 1.39A 4iilA-2atmA:
undetectable		 4iilA-2atmA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IQQ_A_D16A402_1
(THYMIDYLATE SYNTHASE)		 2gxf HYPOTHETICAL PROTEIN
YYBH
(Bacillus
subtilis) 		4 / 7 TYR A 104
ILE A   9
LEU A  72
PHE A 106
 MES  A 201 (-3.3A)
MES  A 201 (-4.2A)
None
MES  A 201 (-4.7A)
 0.85A 4iqqA-2gxfA:
undetectable		 4iqqA-2gxfA:
17.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IQQ_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 2gxf HYPOTHETICAL PROTEIN
YYBH
(Bacillus
subtilis) 		4 / 8 TYR A 104
ILE A   9
LEU A  72
PHE A 106
 MES  A 201 (-3.3A)
MES  A 201 (-4.2A)
None
MES  A 201 (-4.7A)
 0.87A 4iqqD-2gxfA:
undetectable		 4iqqD-2gxfA:
17.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JD1_B_FCNB203_1
(METALLOTHIOL
TRANSFERASE FOSB 2)		 4la2 DIMETHYLSULPHONIOPRO
PIONATE (DMSP) LYASE
DDDQ
(Ruegeria
lacuscaerulensis) 		5 / 12 HIS A 125
TYR A 110
TRP A 178
TYR A 120
HIS A 123
 ZN  A 201 ( 3.4A)
MES  A 202 ( 4.3A)
None
MES  A 202 (-4.5A)
MES  A 202 (-3.9A)
 1.48A 4jd1A-4la2A:
undetectable
4jd1B-4la2A:
undetectable		 4jd1A-4la2A:
20.20
4jd1B-4la2A:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JTR_A_IBPA401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 5x7s GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE
(Paenibacillus
sp.
598K) 		4 / 8 TYR A 373
TYR A1267
HIS A1181
LEU A1165
 MES  A1707 (-3.6A)
MES  A1707 (-4.4A)
None
None
 0.97A 4jtrA-5x7sA:
3.0		 4jtrA-5x7sA:
11.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KEB_B_FOLB202_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
LEU A  45
PHE A  57
ILE A 121
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.58A 4kebB-2blbA:
21.9		 4kebB-2blbA:
29.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KFJ_B_FOLB202_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		9 / 12 ILE A  13
ALA A  15
LEU A  45
PHE A  57
ILE A 121
PRO A 122
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
None
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.65A 4kfjB-2blbA:
22.1		 4kfjB-2blbA:
29.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KJJ_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
PHE A  57
ILE A 121
LEU A 128
ILE A 173
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
 0.71A 4kjjA-2blbA:
19.4		 4kjjA-2blbA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KJK_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
PHE A  57
ILE A 121
LEU A 128
ILE A 173
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
 0.73A 4kjkA-2blbA:
20.3		 4kjkA-2blbA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KJL_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
PHE A  57
ILE A 121
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.71A 4kjlA-2blbA:
20.5		 4kjlA-2blbA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KM2_A_TOPA202_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
ASP A  53
PHE A  57
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.50A 4km2A-2blbA:
19.0		 4km2A-2blbA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KM2_B_TOPB202_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
ASP A  53
PHE A  57
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.50A 4km2B-2blbA:
18.6		 4km2B-2blbA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KR3_A_GLYA701_0
(GLYCINE--TRNA LIGASE)		 5b8i PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
(Coccidioides
immitis) 		4 / 6 ARG C  53
GLU C  60
GLU C  59
SER C  57
 MES  A 404 (-2.9A)
EDO  C 202 ( 2.7A)
EDO  C 203 ( 4.4A)
EDO  C 202 ( 4.2A)
 1.43A 4kr3A-5b8iC:
undetectable		 4kr3A-5b8iC:
13.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_A_MTXA603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		5 / 12 ALA A  15
ASP A  53
LYS A  55
SER A  58
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
None
MES  A1241 (-3.1A)
CP7  A1240 (-4.1A)
 0.71A 4ky8A-2blbA:
16.1		 4ky8A-2blbA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_A_MTXA603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		9 / 12 ALA A  15
LEU A  45
ASP A  53
SER A  58
SER A 120
ILE A 121
LEU A 128
ARG A 131
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 (-4.1A)
 0.74A 4ky8A-2blbA:
16.1		 4ky8A-2blbA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_B_MTXB603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ALA A  15
ASP A  53
LYS A  55
SER A  58
ARG A 131
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
None
MES  A1241 (-3.1A)
MES  A1241 (-2.7A)
CP7  A1240 (-4.1A)
 0.97A 4ky8B-2blbA:
17.0		 4ky8B-2blbA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_B_MTXB603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		9 / 12 ALA A  15
LEU A  45
ASP A  53
SER A  58
SER A 120
ILE A 121
LEU A 128
ARG A 131
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 (-4.1A)
 0.77A 4ky8B-2blbA:
17.0		 4ky8B-2blbA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_C_MTXC603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ALA A  15
ASP A  53
LYS A  55
SER A  58
SER A 120
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
None
MES  A1241 (-3.1A)
NDP  A1239 (-3.6A)
CP7  A1240 (-4.1A)
 1.02A 4ky8C-2blbA:
22.9		 4ky8C-2blbA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_C_MTXC603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ALA A  15
LEU A  45
ASP A  53
SER A  58
ILE A 121
LEU A 128
ARG A 131
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 (-4.1A)
 0.68A 4ky8C-2blbA:
22.9		 4ky8C-2blbA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_C_MTXC603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ALA A  15
LEU A  45
ASP A  53
SER A  58
SER A 120
ILE A 121
LEU A 128
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 (-4.1A)
 0.76A 4ky8C-2blbA:
22.9		 4ky8C-2blbA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_D_MTXD603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		5 / 12 ALA A  15
ASP A  53
LYS A  55
SER A  58
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
None
MES  A1241 (-3.1A)
CP7  A1240 (-4.1A)
 0.77A 4ky8D-2blbA:
19.5		 4ky8D-2blbA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_D_MTXD603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		9 / 12 ALA A  15
LEU A  45
ASP A  53
SER A  58
SER A 120
ILE A 121
LEU A 128
ARG A 131
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 (-4.1A)
 0.72A 4ky8D-2blbA:
19.5		 4ky8D-2blbA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_E_MTXE603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		5 / 12 ALA A  15
ASP A  53
LYS A  55
SER A  58
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
None
MES  A1241 (-3.1A)
CP7  A1240 (-4.1A)
 0.73A 4ky8E-2blbA:
22.9		 4ky8E-2blbA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_E_MTXE603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		9 / 12 ALA A  15
LEU A  45
ASP A  53
SER A  58
SER A 120
ILE A 121
LEU A 128
ARG A 131
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 (-4.1A)
 0.69A 4ky8E-2blbA:
22.9		 4ky8E-2blbA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_A_FOLA703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 11 ALA A  15
ASP A  53
SER A  58
LEU A 128
ARG A 131
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 (-4.1A)
 0.33A 4kyaA-2blbA:
23.1		 4kyaA-2blbA:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_B_FOLB703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ALA A  15
ASP A  53
SER A  58
LEU A 128
ARG A 131
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 (-4.1A)
 0.32A 4kyaB-2blbA:
22.0		 4kyaB-2blbA:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_C_FOLC703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 10 ALA A  15
ASP A  53
SER A  58
LEU A 128
ARG A 131
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 (-4.1A)
 0.33A 4kyaC-2blbA:
17.4		 4kyaC-2blbA:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_D_FOLD703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ALA A  15
ASP A  53
SER A  58
LEU A 128
ARG A 131
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 (-4.1A)
 0.32A 4kyaD-2blbA:
15.0		 4kyaD-2blbA:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_E_FOLE703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 11 ALA A  15
ASP A  53
SER A  58
LEU A 128
ARG A 131
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 (-4.1A)
 0.34A 4kyaE-2blbA:
23.0		 4kyaE-2blbA:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_F_FOLF703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ALA A  15
ASP A  53
SER A  58
LEU A 128
ARG A 131
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 (-4.1A)
 0.31A 4kyaF-2blbA:
15.0		 4kyaF-2blbA:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_G_FOLG703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 11 ALA A  15
ASP A  53
SER A  58
LEU A 128
ARG A 131
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 (-4.1A)
 0.34A 4kyaG-2blbA:
23.1		 4kyaG-2blbA:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_H_FOLH703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ALA A  15
ASP A  53
SER A  58
LEU A 128
ARG A 131
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 (-4.1A)
 0.34A 4kyaH-2blbA:
21.3		 4kyaH-2blbA:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L49_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 1wk4 TTK003001606
(Thermus
thermophilus) 		4 / 5 PHE A 139
TYR A 140
LEU A  91
VAL A  96
 MES  A 201 ( 4.3A)
None
None
MES  A 201 ( 4.4A)
 1.19A 4l49A-1wk4A:
undetectable		 4l49A-1wk4A:
17.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L4E_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)		 1wk4 TTK003001606
(Thermus
thermophilus) 		4 / 8 PHE A 139
TYR A 140
LEU A  91
VAL A  96
 MES  A 201 ( 4.3A)
None
None
MES  A 201 ( 4.4A)
 1.13A 4l4eA-1wk4A:
0.0		 4l4eA-1wk4A:
17.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L4F_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)		 1wk4 TTK003001606
(Thermus
thermophilus) 		4 / 8 PHE A 139
TYR A 140
LEU A  91
VAL A  96
 MES  A 201 ( 4.3A)
None
None
MES  A 201 ( 4.4A)
 1.14A 4l4fA-1wk4A:
undetectable		 4l4fA-1wk4A:
17.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LG1_B_SAMB301_0
(PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21D)		 3jtx AMINOTRANSFERASE
(Neisseria
meningitidis) 		5 / 12 GLY A  98
GLY A 254
LEU A 242
ALA A 102
GLU A  38
 LLP  A 244 ( 3.8A)
None
None
None
MES  A 400 (-4.1A)
 1.08A 4lg1B-3jtxA:
undetectable		 4lg1B-3jtxA:
19.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M2X_A_TMQA202_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
ASP A  53
PHE A  57
PRO A 122
LEU A 128
ILE A 173
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
None
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
 0.68A 4m2xA-2blbA:
19.4		 4m2xA-2blbA:
23.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M2X_C_TMQC202_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
ASP A  53
PRO A 122
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
None
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.68A 4m2xC-2blbA:
19.4		 4m2xC-2blbA:
23.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M2X_E_TMQE202_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
ASP A  53
PRO A 122
LEU A 128
ILE A 173
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
None
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
 0.71A 4m2xE-2blbA:
19.2		 4m2xE-2blbA:
23.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M6K_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		9 / 12 ILE A  13
ALA A  15
LEU A  45
PHE A  57
ILE A 121
PRO A 122
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
None
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.68A 4m6kA-2blbA:
22.3		 4m6kA-2blbA:
29.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M83_A_ERYA1400_0
(OLEANDOMYCIN
GLYCOSYLTRANSFERASE)		 4pc4 30K LIPOPROTEIN
(Bombyx
mori) 		5 / 11 ASN A  52
VAL A  49
TYR A  64
ALA A  30
SER A  21
 MES  A 302 (-3.3A)
None
None
None
None
 1.47A 4m83A-4pc4A:
undetectable		 4m83A-4pc4A:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M83_B_ERYB501_0
(OLEANDOMYCIN
GLYCOSYLTRANSFERASE)		 4pc4 30K LIPOPROTEIN
(Bombyx
mori) 		5 / 11 ASN A  52
VAL A  49
TYR A  64
ALA A  30
SER A  21
 MES  A 302 (-3.3A)
None
None
None
None
 1.47A 4m83B-4pc4A:
undetectable		 4m83B-4pc4A:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N49_A_SAMA601_0
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		 3imk PUTATIVE MOLYBDENUM
CARRIER PROTEIN
(Syntrophus
aciditrophicus) 		6 / 12 ALA A 138
GLY A 135
PRO A 136
LEU A  77
ILE A  10
LEU A 152
 MES  A 160 (-3.6A)
GOL  A 158 (-4.1A)
None
None
None
None
 1.34A 4n49A-3imkA:
undetectable		 4n49A-3imkA:
16.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N9K_A_CEDA301_1
(BETA-LACTAMASE)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		9 / 12 ALA A  69
SER A  70
TYR A 105
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 None
MES  A1000 (-3.1A)
MES  A1000 (-3.9A)
MES  A1000 (-2.7A)
None
None
MES  A1000 (-2.9A)
MES  A1000 (-3.7A)
MES  A1000 (-3.1A)
 0.27A 4n9kA-1hzoA:
42.1		 4n9kA-1hzoA:
41.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N9K_B_CEDB301_1
(BETA-LACTAMASE)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		8 / 12 ALA A  69
SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 None
MES  A1000 (-3.1A)
MES  A1000 (-2.7A)
None
None
MES  A1000 (-2.9A)
MES  A1000 (-3.7A)
MES  A1000 (-3.1A)
 0.25A 4n9kB-1hzoA:
41.9		 4n9kB-1hzoA:
41.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N9K_B_CEDB301_1
(BETA-LACTAMASE)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		8 / 12 ALA A  69
SER A  70
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
TYR A 274
 None
MES  A1000 (-3.1A)
MES  A1000 (-2.7A)
None
MES  A1000 (-2.9A)
MES  A1000 (-3.7A)
MES  A1000 (-3.1A)
None
 0.84A 4n9kB-1hzoA:
41.9		 4n9kB-1hzoA:
41.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NX6_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ALA A  15
PHE A  57
ILE A 121
LEU A 128
ILE A 173
TYR A 179
 CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
 0.75A 4nx6A-2blbA:
20.6		 4nx6A-2blbA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NX6_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		4 / 4 ILE A  13
ASP A  53
ARG A 131
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.1A)
MES  A1241 (-2.7A)
CP7  A1240 (-4.1A)
 0.35A 4nx6A-2blbA:
20.6		 4nx6A-2blbA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NX7_A_FOLA202_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		5 / 12 ALA A  15
PHE A  57
ILE A 121
LEU A 128
ILE A 173
 CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
 0.78A 4nx7A-2blbA:
20.6		 4nx7A-2blbA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NX7_A_FOLA202_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		5 / 12 ALA A  15
PHE A  57
LEU A 128
ILE A 173
TYR A 179
 CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
 0.48A 4nx7A-2blbA:
20.6		 4nx7A-2blbA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NX7_A_FOLA202_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		4 / 4 ILE A  13
ASP A  53
ARG A 131
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.1A)
MES  A1241 (-2.7A)
CP7  A1240 (-4.1A)
 0.34A 4nx7A-2blbA:
20.6		 4nx7A-2blbA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O1E_A_C2FA3000_0
(DIHYDROPTEROATE
SYNTHASE DHPS)		 4zbz URACIL-DNA
GLYCOSYLASE
(Sulfurisphaera
tokodaii) 		5 / 12 ILE A 140
ILE A 110
ASP A 107
ILE A 129
ASN A 136
 MES  A 202 ( 4.2A)
None
None
None
None
 1.12A 4o1eA-4zbzA:
undetectable		 4o1eA-4zbzA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O33_A_TZNA501_1
(PHOSPHOGLYCERATE
KINASE 1)		 6eu6 AMMONIUM TRANSPORTER
(Candidatus
Kuenenia
stuttgartiensis) 		5 / 12 GLY A 222
GLY A 225
PHE A 164
LEU A 229
VAL A  13
 None
None
None
MES  A 502 ( 4.5A)
None
 0.78A 4o33A-6eu6A:
undetectable		 4o33A-6eu6A:
11.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O3F_A_TZNA501_1
(PHOSPHOGLYCERATE
KINASE 1)		 6eu6 AMMONIUM TRANSPORTER
(Candidatus
Kuenenia
stuttgartiensis) 		5 / 12 GLY A 222
GLY A 225
PHE A 164
LEU A 229
VAL A  13
 None
None
None
MES  A 502 ( 4.5A)
None
 0.79A 4o3fA-6eu6A:
undetectable		 4o3fA-6eu6A:
12.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OAD_A_CLMA205_0
(GNAT SUPERFAMILY
ACETYLTRANSFERASE
PA4794)		 5k04 N-TERMINAL
ACETYLTRANSFERASE B
COMPLEX SUBUNIT NAT3
(Candida
albicans) 		5 / 12 PRO B  22
ASN B 117
GLY B 120
LEU B 123
TYR B 124
 None
COA  B 202 (-4.2A)
COA  B 202 ( 3.8A)
COA  B 202 (-2.9A)
MES  B 201 (-4.5A)
 1.28A 4oadA-5k04B:
15.6		 4oadA-5k04B:
26.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OJB_A_198A1001_2
(ANDROGEN RECEPTOR)		 5emi CELL WALL
HYDROLASE/AUTOLYSIN
(Nostoc
punctiforme) 		4 / 7 LEU A 576
ILE A 547
ILE A 604
VAL A 543
 MES  A 704 (-4.9A)
None
None
None
 0.83A 4ojbA-5emiA:
undetectable		 4ojbA-5emiA:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OLT_A_GCSA303_1
(CHITOSANASE)		 3eo4 UNCHARACTERIZED
PROTEIN MJ1062
(Methanocaldococc
us
jannaschii) 		4 / 6 ILE A 374
ARG A 369
GLY A 417
VAL A 419
 None
MES  A   8 (-4.2A)
None
None
 1.01A 4oltA-3eo4A:
undetectable		 4oltA-3eo4A:
18.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OLT_B_GCSB303_1
(CHITOSANASE)		 3eo4 UNCHARACTERIZED
PROTEIN MJ1062
(Methanocaldococc
us
jannaschii) 		4 / 6 ILE A 374
ARG A 369
GLY A 417
VAL A 419
 None
MES  A   8 (-4.2A)
None
None
 0.96A 4oltB-3eo4A:
undetectable		 4oltB-3eo4A:
18.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P3Q_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
PHE A  57
ILE A 121
LEU A 128
PRO A 129
ILE A 173
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
CP7  A1240 ( 3.8A)
None
 0.65A 4p3qA-2blbA:
20.5		 4p3qA-2blbA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P3R_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ILE A  13
ALA A  15
PHE A  57
ILE A 121
LEU A 128
ILE A 173
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
 0.72A 4p3rA-2blbA:
20.6		 4p3rA-2blbA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P3R_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ILE A  13
ALA A  15
PHE A  57
LEU A 128
ILE A 173
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
 0.46A 4p3rA-2blbA:
20.6		 4p3rA-2blbA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P3R_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		3 / 3 ASP A  53
ARG A 131
THR A 194
 CP7  A1240 (-3.1A)
MES  A1241 (-2.7A)
CP7  A1240 (-4.1A)
 0.30A 4p3rA-2blbA:
20.6		 4p3rA-2blbA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P66_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 11 ILE A  13
ALA A  15
ASP A  53
LEU A 128
ARG A 131
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.42A 4p66A-2blbA:
20.7		 4p66A-2blbA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P68_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		9 / 11 ILE A  13
ASP A  53
PHE A  57
SER A 120
ILE A 121
ARG A 131
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
MES  A1241 (-2.7A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.59A 4p68A-2blbA:
20.3		 4p68A-2blbA:
24.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PFJ_B_ADNB502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE
(Bacillus
circulans) 		4 / 6 GLU A 706
GLN A 131
THR A 605
HIS A 175
 None
MES  A 809 (-4.5A)
None
None
 1.33A 4pfjB-3wnpA:
undetectable		 4pfjB-3wnpA:
21.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PM5_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		9 / 12 TYR A 105
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
SER A 237
GLY A 238
 MES  A1000 (-3.9A)
None
None
MES  A1000 (-3.7A)
MES  A1000 (-2.9A)
MES  A1000 (-3.7A)
MES  A1000 (-3.1A)
MES  A1000 (-2.7A)
None
 0.53A 4pm5A-1hzoA:
46.7		 4pm5A-1hzoA:
65.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PM5_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		9 / 12 TYR A 105
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
SER A 237
GLY A 238
 MES  A1000 (-3.9A)
MES  A1000 (-2.7A)
None
None
MES  A1000 (-2.9A)
MES  A1000 (-3.7A)
MES  A1000 (-3.1A)
MES  A1000 (-2.7A)
None
 0.74A 4pm5A-1hzoA:
46.7		 4pm5A-1hzoA:
65.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PM5_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 2v2f PENICILLIN BINDING
PROTEIN 1A
(Streptococcus
pneumoniae) 		6 / 12 SER F 428
ASN F 430
THR F 543
LYS F 557
THR F 558
GLY F 559
 MES  F1653 (-3.1A)
None
MES  F1653 (-3.7A)
MES  F1653 ( 4.0A)
MES  F1653 (-3.8A)
MES  F1653 (-3.6A)
 0.65A 4pm5A-2v2fF:
17.9		 4pm5A-2v2fF:
24.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PM7_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		8 / 12 LYS A  73
TYR A 105
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 236
GLY A 238
 None
MES  A1000 (-3.9A)
None
None
MES  A1000 (-3.7A)
MES  A1000 (-2.9A)
MES  A1000 (-3.1A)
None
 0.54A 4pm7A-1hzoA:
46.7		 4pm7A-1hzoA:
65.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PM7_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		8 / 12 LYS A  73
TYR A 105
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
GLY A 238
 None
MES  A1000 (-3.9A)
MES  A1000 (-2.7A)
None
None
MES  A1000 (-2.9A)
MES  A1000 (-3.1A)
None
 0.73A 4pm7A-1hzoA:
46.7		 4pm7A-1hzoA:
65.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PM7_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 2v2f PENICILLIN BINDING
PROTEIN 1A
(Streptococcus
pneumoniae) 		5 / 12 LYS F 373
ASN F 430
THR F 543
LYS F 557
GLY F 559
 None
None
MES  F1653 (-3.7A)
MES  F1653 ( 4.0A)
MES  F1653 (-3.6A)
 0.68A 4pm7A-2v2fF:
17.9		 4pm7A-2v2fF:
24.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PM7_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 2v2f PENICILLIN BINDING
PROTEIN 1A
(Streptococcus
pneumoniae) 		5 / 12 SER F 428
ASN F 430
THR F 543
LYS F 557
GLY F 559
 MES  F1653 (-3.1A)
None
MES  F1653 (-3.7A)
MES  F1653 ( 4.0A)
MES  F1653 (-3.6A)
 0.68A 4pm7A-2v2fF:
17.9		 4pm7A-2v2fF:
24.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PM9_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		8 / 12 TYR A 105
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
 MES  A1000 (-3.9A)
None
None
MES  A1000 (-3.7A)
MES  A1000 (-2.9A)
MES  A1000 (-3.7A)
MES  A1000 (-3.1A)
None
 0.43A 4pm9A-1hzoA:
46.7		 4pm9A-1hzoA:
66.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PM9_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		7 / 12 TYR A 105
SER A 130
ASN A 170
LYS A 234
THR A 235
GLY A 236
GLY A 238
 MES  A1000 (-3.9A)
MES  A1000 (-2.7A)
None
MES  A1000 (-2.9A)
MES  A1000 (-3.7A)
MES  A1000 (-3.1A)
None
 0.71A 4pm9A-1hzoA:
46.7		 4pm9A-1hzoA:
66.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PM9_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 2v2f PENICILLIN BINDING
PROTEIN 1A
(Streptococcus
pneumoniae) 		6 / 12 SER F 428
ASN F 430
THR F 543
LYS F 557
THR F 558
GLY F 559
 MES  F1653 (-3.1A)
None
MES  F1653 (-3.7A)
MES  F1653 ( 4.0A)
MES  F1653 (-3.8A)
MES  F1653 (-3.6A)
 0.67A 4pm9A-2v2fF:
17.7		 4pm9A-2v2fF:
24.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PSS_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
PHE A  57
ILE A 121
LEU A 128
ILE A 173
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
 0.74A 4pssA-2blbA:
undetectable		 4pssA-2blbA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PST_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		5 / 12 ALA A  15
ILE A 121
LEU A 128
ILE A 173
THR A 194
 CP7  A1240 (-3.7A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
CP7  A1240 (-4.1A)
 0.79A 4pstA-2blbA:
undetectable		 4pstA-2blbA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PST_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ALA A  15
PHE A  57
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.47A 4pstA-2blbA:
undetectable		 4pstA-2blbA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PST_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		3 / 3 ILE A  13
ASP A  53
ARG A 131
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.1A)
MES  A1241 (-2.7A)
 0.28A 4pstA-2blbA:
undetectable		 4pstA-2blbA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PSY_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ILE A  13
ALA A  15
PHE A  57
ILE A 121
LEU A 128
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 (-4.1A)
 0.69A 4psyA-2blbA:
20.6		 4psyA-2blbA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PSY_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ILE A  13
ALA A  15
PHE A  57
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.41A 4psyA-2blbA:
20.6		 4psyA-2blbA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PTH_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
ILE A 121
LEU A 128
ARG A 131
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.71A 4pthA-2blbA:
20.4		 4pthA-2blbA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PTJ_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
PHE A  57
ILE A 121
ARG A 131
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-2.7A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.65A 4ptjA-2blbA:
20.5		 4ptjA-2blbA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_A_MTXA604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ALA A  15
ASP A  53
LYS A  55
SER A  58
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
None
MES  A1241 (-3.1A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 1.22A 4q0dA-2blbA:
22.8		 4q0dA-2blbA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_A_MTXA604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		9 / 12 ALA A  15
LEU A  45
ASP A  53
SER A  58
ILE A 121
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.57A 4q0dA-2blbA:
22.8		 4q0dA-2blbA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_B_MTXB604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ALA A  15
ASP A  53
LYS A  55
SER A  58
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
None
MES  A1241 (-3.1A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 1.22A 4q0dB-2blbA:
22.9		 4q0dB-2blbA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_B_MTXB604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		9 / 12 ALA A  15
LEU A  45
ASP A  53
SER A  58
ILE A 121
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.57A 4q0dB-2blbA:
22.9		 4q0dB-2blbA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_C_MTXC604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ALA A  15
ASP A  53
LYS A  55
SER A  58
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
None
MES  A1241 (-3.1A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 1.22A 4q0dC-2blbA:
22.8		 4q0dC-2blbA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_C_MTXC604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ALA A  15
LEU A  45
ASP A  53
SER A  58
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.40A 4q0dC-2blbA:
22.8		 4q0dC-2blbA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_C_MTXC604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ALA A  15
LEU A  45
ASP A  53
SER A  58
SER A 117
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.1A)
NDP  A1239 (-2.9A)
CP7  A1240 (-4.1A)
 1.32A 4q0dC-2blbA:
22.8		 4q0dC-2blbA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_C_MTXC604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ALA A  15
LEU A  45
ASP A  53
SER A  58
SER A 120
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.1A)
NDP  A1239 (-3.6A)
None
CP7  A1240 (-4.1A)
 0.54A 4q0dC-2blbA:
22.8		 4q0dC-2blbA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_D_MTXD604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ALA A  15
ASP A  53
LYS A  55
SER A  58
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
None
MES  A1241 (-3.1A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 1.22A 4q0dD-2blbA:
22.8		 4q0dD-2blbA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_D_MTXD604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ALA A  15
LEU A  45
ASP A  53
SER A  58
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.40A 4q0dD-2blbA:
22.8		 4q0dD-2blbA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_D_MTXD604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ALA A  15
LEU A  45
ASP A  53
SER A  58
SER A 117
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.1A)
NDP  A1239 (-2.9A)
CP7  A1240 (-4.1A)
 1.32A 4q0dD-2blbA:
22.8		 4q0dD-2blbA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_D_MTXD604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ALA A  15
LEU A  45
ASP A  53
SER A  58
SER A 120
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.1A)
NDP  A1239 (-3.6A)
None
CP7  A1240 (-4.1A)
 0.54A 4q0dD-2blbA:
22.8		 4q0dD-2blbA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_E_MTXE604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ALA A  15
ASP A  53
LYS A  55
SER A  58
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
None
MES  A1241 (-3.1A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 1.22A 4q0dE-2blbA:
22.9		 4q0dE-2blbA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_E_MTXE604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		9 / 12 ALA A  15
LEU A  45
ASP A  53
SER A  58
ILE A 121
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.56A 4q0dE-2blbA:
22.9		 4q0dE-2blbA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QB9_E_PARE500_1
(ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN)		 2z0j PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA1438
(Thermus
thermophilus) 		5 / 12 PHE A  73
THR A  97
SER A  95
ASP A  23
GLY A  66
 None
MES  A 301 (-3.7A)
None
CA  A 401 (-3.0A)
MES  A 301 (-3.4A)
 1.47A 4qb9E-2z0jA:
undetectable		 4qb9E-2z0jA:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QI9_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ALA A  15
ASP A  53
SER A 117
LEU A 128
ARG A 131
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
NDP  A1239 (-2.9A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 (-4.1A)
 1.10A 4qi9A-2blbA:
18.4		 4qi9A-2blbA:
24.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QI9_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
ASP A  53
ILE A 121
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.68A 4qi9A-2blbA:
18.4		 4qi9A-2blbA:
24.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QI9_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
ASP A  53
SER A 120
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
NDP  A1239 (-3.6A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.54A 4qi9A-2blbA:
18.4		 4qi9A-2blbA:
24.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QI9_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
ASP A  53
ILE A 121
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.63A 4qi9B-2blbA:
18.6		 4qi9B-2blbA:
24.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QI9_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
ASP A  53
SER A 120
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
NDP  A1239 (-3.6A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.55A 4qi9B-2blbA:
18.6		 4qi9B-2blbA:
24.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QI9_C_MTXC201_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 11 ILE A  13
ALA A  15
ASP A  53
ILE A 121
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.68A 4qi9C-2blbA:
17.8		 4qi9C-2blbA:
24.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QI9_C_MTXC201_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 11 ILE A  13
ALA A  15
ASP A  53
SER A 120
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
NDP  A1239 (-3.6A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.57A 4qi9C-2blbA:
17.8		 4qi9C-2blbA:
24.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QLE_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
ASP A  53
ILE A 121
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.73A 4qleA-2blbA:
19.5		 4qleA-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QLE_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
ASP A  53
PHE A  57
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.39A 4qleA-2blbA:
19.5		 4qleA-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QLE_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 11 ALA A  15
ASP A  53
SER A 117
LEU A 128
ARG A 131
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
NDP  A1239 (-2.9A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 (-4.1A)
 1.04A 4qleB-2blbA:
19.7		 4qleB-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QLE_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 11 ILE A  13
ALA A  15
ASP A  53
SER A 120
ILE A 121
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.80A 4qleB-2blbA:
19.7		 4qleB-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QLE_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 11 ILE A  13
ALA A  15
ASP A  53
SER A 120
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
NDP  A1239 (-3.6A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.53A 4qleB-2blbA:
19.7		 4qleB-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QLF_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 11 ILE A  13
ALA A  15
ASP A  53
ILE A 121
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.69A 4qlfA-2blbA:
17.3		 4qlfA-2blbA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QLF_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 11 ILE A  13
ALA A  15
ASP A  53
PHE A  57
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.40A 4qlfA-2blbA:
17.3		 4qlfA-2blbA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QLG_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
ASP A  53
ILE A 121
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.70A 4qlgA-2blbA:
19.6		 4qlgA-2blbA:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QLG_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
ASP A  53
PHE A  57
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.40A 4qlgA-2blbA:
19.6		 4qlgA-2blbA:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QLG_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
ASP A  53
ILE A 121
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.64A 4qlgB-2blbA:
19.5		 4qlgB-2blbA:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QLG_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
ASP A  53
PHE A  57
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.39A 4qlgB-2blbA:
19.5		 4qlgB-2blbA:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R21_B_STRB601_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		 4s38 4-HYDROXY-3-METHYLBU
T-2-EN-1-YL
DIPHOSPHATE SYNTHASE
(Thermus
thermophilus) 		5 / 9 ALA A 369
VAL A 294
GLY A 357
ILE A 386
VAL A 315
 None
MES  A 902 (-4.2A)
None
None
None
 1.06A 4r21B-4s38A:
undetectable		 4r21B-4s38A:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RGC_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		9 / 12 ILE A  13
ALA A  15
ASP A  53
PHE A  57
ILE A 121
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.64A 4rgcA-2blbA:
20.7		 4rgcA-2blbA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4U5J_A_RXTA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 5uuu BETA-ADRENERGIC
RECEPTOR KINASE 1
(Homo
sapiens) 		8 / 11 GLY A 200
VAL A 205
ALA A 218
MET A 274
GLY A 277
ASN A 322
LEU A 324
ASP A 335
 QRW  A 601 (-3.6A)
QRW  A 601 (-4.7A)
QRW  A 601 (-3.4A)
MES  A 604 (-3.9A)
None
None
None
QRW  A 601 (-3.7A)
 0.68A 4u5jA-5uuuA:
24.9		 4u5jA-5uuuA:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UCK_B_SAMB2409_0
(RNA-DIRECTED RNA
POLYMERASE L)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 GLY A 774
GLY A 776
SER A 772
LEU A 771
THR A 768
 None
None
ACT  A1983 (-4.7A)
None
MES  A1977 (-4.9A)
 1.04A 4uckB-2ivfA:
undetectable		 4uckB-2ivfA:
16.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UG5_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE OXYGENASE)		 4tkt AT-LESS POLYKETIDE
SYNTHASE
(Streptomyces
platensis) 		3 / 3 ARG A3230
THR A3749
TRP A3747
 None
None
MES  A4004 (-3.5A)
 0.97A 4ug5A-4tktA:
undetectable		 4ug5A-4tktA:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UG5_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE OXYGENASE)		 4tkt AT-LESS POLYKETIDE
SYNTHASE
(Streptomyces
platensis) 		3 / 3 ARG A3745
THR A3749
TRP A3747
 MES  A4004 ( 4.7A)
None
MES  A4004 (-3.5A)
 0.78A 4ug5A-4tktA:
undetectable		 4ug5A-4tktA:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UGL_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE)		 4tkt AT-LESS POLYKETIDE
SYNTHASE
(Streptomyces
platensis) 		3 / 3 ARG A3230
THR A3749
TRP A3747
 None
None
MES  A4004 (-3.5A)
 1.02A 4uglA-4tktA:
0.9		 4uglA-4tktA:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UGL_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE)		 4tkt AT-LESS POLYKETIDE
SYNTHASE
(Streptomyces
platensis) 		3 / 3 ARG A3745
THR A3749
TRP A3747
 MES  A4004 ( 4.7A)
None
MES  A4004 (-3.5A)
 0.72A 4uglA-4tktA:
0.9		 4uglA-4tktA:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UUU_A_SAMA1546_0
(CYSTATHIONINE
BETA-SYNTHASE)		 3aib GLUCOSYLTRANSFERASE-
SI
(Streptococcus
mutans) 		5 / 11 LEU A 433
ALA A 478
THR A 409
ILE A 427
ASP A 424
 None
None
None
MES  A5001 ( 4.5A)
None
 1.02A 4uuuA-3aibA:
undetectable
4uuuB-3aibA:
undetectable		 4uuuA-3aibA:
10.78
4uuuB-3aibA:
10.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UUU_B_SAMB1548_0
(CYSTATHIONINE
BETA-SYNTHASE)		 3o2k BREVIANAMIDE F
PRENYLTRANSFERASE
(Aspergillus
fumigatus) 		5 / 11 LEU A  68
ALA A  72
PRO A  71
THR A  40
ILE A  43
 None
None
MES  A 475 ( 4.9A)
None
None
 1.30A 4uuuB-3o2kA:
undetectable		 4uuuB-3o2kA:
17.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V1F_B_BQ1B1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		 2b7u CHARYBDIN
(Drimia
maritima) 		5 / 8 ALA A 175
ALA A 168
ILE A 174
PHE A 239
LEU A 198
 None
None
None
MES  A 258 (-3.9A)
None
 1.48A 4v1fA-2b7uA:
undetectable
4v1fB-2b7uA:
undetectable		 4v1fA-2b7uA:
16.67
4v1fB-2b7uA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WBO_B_ANWB601_0
(RHODOPSIN KINASE)		 2j8k NP275-NP276
(Nostoc
punctiforme) 		4 / 8 ALA A 120
ASN A 116
LEU A 112
ALA A  75
 None
MES  A1176 (-3.2A)
None
None
 0.67A 4wboB-2j8kA:
undetectable		 4wboB-2j8kA:
18.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WBO_B_ANWB601_0
(RHODOPSIN KINASE)		 5uuu BETA-ADRENERGIC
RECEPTOR KINASE 1
(Homo
sapiens) 		4 / 8 ALA A 218
ASN A 275
LEU A 324
SER A 334
 QRW  A 601 (-3.4A)
MES  A 604 (-3.8A)
None
QRW  A 601 ( 3.7A)
 0.58A 4wboB-5uuuA:
37.3		 4wboB-5uuuA:
34.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WW7_A_ACTA303_0
(EKC/KEOPS COMPLEX
SUBUNIT BUD32)		 2o3b NUCLEASE
SUGAR-NON-SPECIFIC
NUCLEASE INHIBITOR
(Nostoc
sp.
PCC
7120;
Nostoc
sp.
PCC
7120) 		4 / 4 LEU B 112
VAL B 110
GLU B 111
ARG A 156
 None
MES  A 901 (-4.6A)
None
MES  A 901 (-4.8A)
 1.49A 4ww7A-2o3bB:
0.0		 4ww7A-2o3bB:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X3U_B_SVRB102_1
(CHROMOBOX PROTEIN
HOMOLOG 7)		 5apg TSR3
(Vulcanisaeta
distributa) 		3 / 3 LYS A  50
ARG A 162
VAL A 167
 None
None
MES  A1186 (-4.1A)
 0.91A 4x3uA-5apgA:
undetectable
4x3uB-5apgA:
undetectable		 4x3uA-5apgA:
14.29
4x3uB-5apgA:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5F_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
PHE A  57
ILE A 121
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.66A 4x5fA-2blbA:
19.4		 4x5fA-2blbA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5F_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
PHE A  57
ILE A 121
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.64A 4x5fB-2blbA:
19.6		 4x5fB-2blbA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5G_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
ASP A  53
ILE A 121
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.70A 4x5gA-2blbA:
19.4		 4x5gA-2blbA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5G_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
ASP A  53
PHE A  57
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.36A 4x5gA-2blbA:
19.4		 4x5gA-2blbA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5G_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
ILE A 121
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.73A 4x5gB-2blbA:
19.7		 4x5gB-2blbA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5G_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
LEU A 128
ARG A 131
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.44A 4x5gB-2blbA:
19.7		 4x5gB-2blbA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5H_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ILE A  13
ALA A  15
ILE A 121
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.78A 4x5hA-2blbA:
19.3		 4x5hA-2blbA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5H_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ILE A  13
ALA A  15
PHE A  57
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.44A 4x5hA-2blbA:
19.3		 4x5hA-2blbA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5I_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		5 / 12 ALA A  15
ILE A 121
LEU A 128
ILE A 173
THR A 194
 CP7  A1240 (-3.7A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
CP7  A1240 (-4.1A)
 0.80A 4x5iA-2blbA:
19.2		 4x5iA-2blbA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5I_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
PHE A  57
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.49A 4x5iA-2blbA:
19.2		 4x5iA-2blbA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5J_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		5 / 12 ILE A  13
ALA A  15
ILE A 121
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
MES  A1241 ( 4.1A)
None
CP7  A1240 (-4.1A)
 0.74A 4x5jA-2blbA:
19.1		 4x5jA-2blbA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XOY_A_DX4A401_0
(MITOGEN-ACTIVATED
PROTEIN KINASE 1)		 5uuu BETA-ADRENERGIC
RECEPTOR KINASE 1
(Homo
sapiens) 		4 / 6 ALA A 218
LEU A 273
MET A 274
LEU A 324
 QRW  A 601 (-3.4A)
None
MES  A 604 (-3.9A)
None
 0.41A 4xoyA-5uuuA:
25.5		 4xoyA-5uuuA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XP3_A_DX4A401_0
(MITOGEN-ACTIVATED
PROTEIN KINASE 1)		 5uuu BETA-ADRENERGIC
RECEPTOR KINASE 1
(Homo
sapiens) 		4 / 6 ALA A 218
LEU A 273
MET A 274
LEU A 324
 QRW  A 601 (-3.4A)
None
MES  A 604 (-3.9A)
None
 0.39A 4xp3A-5uuuA:
26.3		 4xp3A-5uuuA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XUE_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)		 6bb9 4-AMINO-4-DEOXYCHORI
SMATE LYASE
(Salmonella
enterica) 		5 / 12 ASN A 198
VAL A 197
ILE A 242
ILE A 233
CYH A 205
 CL  A 305 ( 4.8A)
MES  A 301 (-4.1A)
None
None
None
 1.47A 4xueA-6bb9A:
undetectable		 4xueA-6bb9A:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XUE_B_SAMB303_0
(CATECHOL
O-METHYLTRANSFERASE)		 2zm2 6-AMINOHEXANOATE-DIM
ER HYDROLASE
(Flavobacterium
sp.) 		5 / 12 VAL A 177
GLY A 267
SER A 217
ILE A 255
SER A 270
 MES  A 504 (-4.4A)
MES  A 504 (-3.3A)
MES  A 504 ( 2.7A)
None
None
 1.43A 4xueB-2zm2A:
undetectable		 4xueB-2zm2A:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z4F_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		 4pmn TAT-SECRETED PROTEIN
RV2525C
(Mycobacterium
tuberculosis) 		4 / 7 LEU A 127
TYR A  65
LYS A  79
PRO A  80
 GOL  A 302 (-4.9A)
None
MES  A 301 (-2.7A)
None
 1.05A 4z4fA-4pmnA:
undetectable		 4z4fA-4pmnA:
13.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z4G_A_IPHA903_0
(PROTEIN ARGONAUTE-2)		 4pmn TAT-SECRETED PROTEIN
RV2525C
(Mycobacterium
tuberculosis) 		4 / 6 LEU A 127
TYR A  65
LYS A  79
PRO A  80
 GOL  A 302 (-4.9A)
None
MES  A 301 (-2.7A)
None
 1.01A 4z4gA-4pmnA:
3.0		 4z4gA-4pmnA:
13.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZBR_A_NPSA602_1
(SERUM ALBUMIN)		 4lih GAMMA-GLUTAMYL-GAMMA
-AMINOBUTYRALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		5 / 12 PHE A 465
TYR A 455
GLY A 466
SER A 471
SER A 305
 MES  A 501 ( 4.9A)
None
None
None
None
 1.42A 4zbrA-4lihA:
undetectable		 4zbrA-4lihA:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZVM_A_DM2A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 4pbq PUTATIVE TRAP
PERIPLASMIC SOLUTE
BINDING PROTEIN
(Haemophilus
influenzae) 		5 / 12 GLY A  31
GLY A  88
ILE A  85
ILE A  28
PHE A  48
 None
None
MES  A 403 (-4.6A)
None
None
 1.25A 4zvmA-4pbqA:
undetectable
4zvmB-4pbqA:
undetectable		 4zvmA-4pbqA:
20.66
4zvmB-4pbqA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZZC_E_ACTE406_0
(PROTON-GATED ION
CHANNEL)		 2w20 SIALIDASE A
(Streptococcus
pneumoniae) 		4 / 5 ILE A 463
ILE A 530
TYR A 465
GLU A 450
 None
None
MES  A1791 (-3.7A)
MES  A1791 ( 3.9A)
 1.28A 4zzcE-2w20A:
undetectable		 4zzcE-2w20A:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZZC_E_ACTE406_0
(PROTON-GATED ION
CHANNEL)		 5n2g DNA POLYMERASE
(Vaccinia
virus) 		4 / 5 ILE A 327
ILE A   6
TYR A 258
GLU A 476
 MES  A1103 ( 4.9A)
None
None
None
 1.26A 4zzcE-5n2gA:
2.5		 4zzcE-5n2gA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AAA_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 5uuu BETA-ADRENERGIC
RECEPTOR KINASE 1
(Homo
sapiens) 		6 / 9 VAL A 205
ALA A 218
LEU A 271
MET A 274
LEU A 324
ASP A 335
 QRW  A 601 (-4.7A)
QRW  A 601 (-3.4A)
QRW  A 601 ( 4.9A)
MES  A 604 (-3.9A)
None
QRW  A 601 (-3.7A)
 0.84A 5aaaA-5uuuA:
22.6		 5aaaA-5uuuA:
23.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AAC_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 5uuu BETA-ADRENERGIC
RECEPTOR KINASE 1
(Homo
sapiens) 		7 / 10 VAL A 205
ALA A 218
LEU A 271
MET A 274
GLY A 277
LEU A 324
ASP A 335
 QRW  A 601 (-4.7A)
QRW  A 601 (-3.4A)
QRW  A 601 ( 4.9A)
MES  A 604 (-3.9A)
None
None
QRW  A 601 (-3.7A)
 0.88A 5aacA-5uuuA:
22.3		 5aacA-5uuuA:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AAC_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 5uuu BETA-ADRENERGIC
RECEPTOR KINASE 1
(Homo
sapiens) 		7 / 10 VAL A 205
ALA A 218
LYS A 220
LEU A 271
MET A 274
GLY A 277
LEU A 324
 QRW  A 601 (-4.7A)
QRW  A 601 (-3.4A)
QRW  A 601 (-3.0A)
QRW  A 601 ( 4.9A)
MES  A 604 (-3.9A)
None
None
 0.96A 5aacA-5uuuA:
22.3		 5aacA-5uuuA:
23.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ACL_A_SASA1111_1
(MCG)		 3zl4 A17 ANTIBODY FAB
FRAGMENT LAMBDA
LIGHT CHAIN
(Homo
sapiens) 		4 / 7 TYR L  33
SER L  35
TYR L  37
PRO L  56
 None
MES  L1217 ( 3.9A)
None
None
 1.07A 5aclA-3zl4L:
21.1		 5aclA-3zl4L:
66.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		 3zl4 A17 ANTIBODY FAB
FRAGMENT LAMBDA
LIGHT CHAIN
(Homo
sapiens) 		4 / 8 SER L  35
TYR L  37
GLY L  90
PHE L 100
 MES  L1217 ( 3.9A)
None
None
MES  L1217 ( 4.9A)
 0.48A 5albL-3zl4L:
20.5		 5albL-3zl4L:
93.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		 3zl4 A17 ANTIBODY FAB
FRAGMENT LAMBDA
LIGHT CHAIN
(Homo
sapiens) 		4 / 8 SER L  35
TYR L  37
GLY L  90
PHE L 100
 MES  L1217 ( 3.9A)
None
None
MES  L1217 ( 4.9A)
 0.55A 5alcL-3zl4L:
26.4		 5alcL-3zl4L:
94.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1A_B_CHDB303_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 1wk4 TTK003001606
(Thermus
thermophilus) 		5 / 11 GLN A 101
THR A  21
THR A  25
PHE A 139
GLY A 136
 None
None
None
MES  A 201 ( 4.3A)
MES  A 201 (-3.3A)
 1.14A 5b1aA-1wk4A:
undetectable
5b1aB-1wk4A:
0.0
5b1aT-1wk4A:
0.0		 5b1aA-1wk4A:
14.65
5b1aB-1wk4A:
21.15
5b1aT-1wk4A:
18.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1B_B_CHDB303_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 1wk4 TTK003001606
(Thermus
thermophilus) 		5 / 11 GLN A 101
THR A  21
THR A  25
PHE A 139
GLY A 136
 None
None
None
MES  A 201 ( 4.3A)
MES  A 201 (-3.3A)
 1.12A 5b1bA-1wk4A:
undetectable
5b1bB-1wk4A:
0.0
5b1bT-1wk4A:
0.0		 5b1bA-1wk4A:
14.65
5b1bB-1wk4A:
21.15
5b1bT-1wk4A:
18.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B2Q_A_ACTA1728_0
(CRISPR-ASSOCIATED
ENDONUCLEASE CAS9)		 1wlc CONGERIN II
(Conger
myriaster) 		3 / 3 ASN A  33
SER A  31
ARG A  29
 MES  A 777 ( 3.9A)
MES  A 777 ( 4.0A)
None
 0.92A 5b2qA-1wlcA:
undetectable		 5b2qA-1wlcA:
5.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B3S_B_CHDB304_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 1wk4 TTK003001606
(Thermus
thermophilus) 		5 / 11 GLN A 101
THR A  21
THR A  25
PHE A 139
GLY A 136
 None
None
None
MES  A 201 ( 4.3A)
MES  A 201 (-3.3A)
 1.12A 5b3sA-1wk4A:
undetectable
5b3sB-1wk4A:
0.0
5b3sT-1wk4A:
0.0		 5b3sA-1wk4A:
14.65
5b3sB-1wk4A:
21.15
5b3sT-1wk4A:
18.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BMV_C_VLBC507_2
(TUBULIN ALPHA-1B
CHAIN)		 3eo4 UNCHARACTERIZED
PROTEIN MJ1062
(Methanocaldococc
us
jannaschii) 		5 / 7 VAL A 419
ASN A 420
ILE A 431
VAL A 453
ILE A 354
 None
MES  A   8 (-3.4A)
None
None
None
 1.46A 5bmvC-3eo4A:
undetectable		 5bmvC-3eo4A:
16.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E8Q_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ILE A  13
ALA A  15
ILE A 121
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
MES  A1241 ( 4.1A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.70A 5e8qA-2blbA:
19.3		 5e8qA-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E8Q_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		3 / 3 ASP A  53
LEU A 128
ARG A 131
 CP7  A1240 (-3.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
 0.41A 5e8qA-2blbA:
19.3		 5e8qA-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E8Q_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ILE A  13
ALA A  15
ILE A 121
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.77A 5e8qB-2blbA:
19.6		 5e8qB-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E8Q_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ILE A  13
ALA A  15
PHE A  57
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.46A 5e8qB-2blbA:
19.6		 5e8qB-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EAJ_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
ILE A 121
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.74A 5eajA-2blbA:
19.4		 5eajA-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EAJ_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
PHE A  57
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.39A 5eajA-2blbA:
19.4		 5eajA-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EAJ_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
ILE A 121
LEU A 128
PRO A 129
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
None
CP7  A1240 (-4.1A)
 0.80A 5eajB-2blbA:
19.7		 5eajB-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EAJ_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
PHE A  57
LEU A 128
PRO A 129
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 (-4.5A)
None
None
CP7  A1240 (-4.1A)
 0.45A 5eajB-2blbA:
19.7		 5eajB-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EC8_A_SAMA301_0
(GENOME POLYPROTEIN)		 3eo4 UNCHARACTERIZED
PROTEIN MJ1062
(Methanocaldococc
us
jannaschii) 		5 / 12 SER A 449
GLY A 446
GLY A 436
GLY A 417
ILE A 374
 None
MES  A   2 (-3.7A)
None
None
None
 0.83A 5ec8A-3eo4A:
undetectable		 5ec8A-3eo4A:
19.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FHZ_A_REAA602_1
(ALDEHYDE
DEHYDROGENASE FAMILY
1 MEMBER A3)		 4lih GAMMA-GLUTAMYL-GAMMA
-AMINOBUTYRALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		5 / 12 ASN A 168
PHE A 169
LEU A 172
MET A 173
CYH A 301
 MES  A 501 (-3.6A)
MES  A 501 (-3.8A)
None
MES  A 501 ( 4.1A)
MES  A 501 (-3.7A)
 0.88A 5fhzA-4lihA:
58.1		 5fhzA-4lihA:
39.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FHZ_A_REAA602_1
(ALDEHYDE
DEHYDROGENASE FAMILY
1 MEMBER A3)		 4lih GAMMA-GLUTAMYL-GAMMA
-AMINOBUTYRALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		7 / 12 GLY A 123
ASN A 168
PHE A 169
LEU A 172
MET A 173
TRP A 176
THR A 302
 None
MES  A 501 (-3.6A)
MES  A 501 (-3.8A)
None
MES  A 501 ( 4.1A)
None
MES  A 501 (-3.0A)
 0.69A 5fhzA-4lihA:
58.1		 5fhzA-4lihA:
39.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FHZ_B_REAB602_1
(ALDEHYDE
DEHYDROGENASE FAMILY
1 MEMBER A3)		 1tc1 PROTEIN
(HYPOXANTHINE
PHOSPHORIBOSYLTRANSF
ERASE)
(Trypanosoma
cruzi) 		5 / 9 ILE A 102
THR A 137
LEU A 135
LEU A 123
LEU A 120
 None
None
None
None
MES  A 800 (-3.8A)
 1.28A 5fhzB-1tc1A:
undetectable		 5fhzB-1tc1A:
20.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FHZ_D_READ602_1
(ALDEHYDE
DEHYDROGENASE FAMILY
1 MEMBER A3)		 4lih GAMMA-GLUTAMYL-GAMMA
-AMINOBUTYRALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		5 / 12 GLY A 123
ASN A 168
MET A 173
TRP A 176
THR A 302
 None
MES  A 501 (-3.6A)
MES  A 501 ( 4.1A)
None
MES  A 501 (-3.0A)
 0.74A 5fhzD-4lihA:
56.0		 5fhzD-4lihA:
39.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FHZ_D_READ602_1
(ALDEHYDE
DEHYDROGENASE FAMILY
1 MEMBER A3)		 4lih GAMMA-GLUTAMYL-GAMMA
-AMINOBUTYRALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		5 / 12 GLY A 123
MET A 173
TRP A 176
GLU A 266
THR A 302
 None
MES  A 501 ( 4.1A)
None
None
MES  A 501 (-3.0A)
 1.23A 5fhzD-4lihA:
56.0		 5fhzD-4lihA:
39.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FVO_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 1fzq ADP-RIBOSYLATION
FACTOR-LIKE PROTEIN
3
(Mus
musculus) 		3 / 3 ARG A 149
VAL A 152
TRP A 153
 None
MES  A 201 (-3.8A)
MES  A 201 (-4.1A)
 1.23A 5fvoA-1fzqA:
undetectable		 5fvoA-1fzqA:
17.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5G6C_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE OXYGENASE)		 4tkt AT-LESS POLYKETIDE
SYNTHASE
(Streptomyces
platensis) 		3 / 3 ARG A3230
THR A3749
TRP A3747
 None
None
MES  A4004 (-3.5A)
 0.98A 5g6cA-4tktA:
undetectable		 5g6cA-4tktA:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5G6C_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE OXYGENASE)		 4tkt AT-LESS POLYKETIDE
SYNTHASE
(Streptomyces
platensis) 		3 / 3 ARG A3745
THR A3749
TRP A3747
 MES  A4004 ( 4.7A)
None
MES  A4004 (-3.5A)
 0.71A 5g6cA-4tktA:
undetectable		 5g6cA-4tktA:
18.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GHY_A_CEDA301_1
(BETA-LACTAMASE)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		7 / 12 ALA A  69
SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
 None
MES  A1000 (-3.1A)
MES  A1000 (-2.7A)
None
None
MES  A1000 (-2.9A)
MES  A1000 (-3.1A)
 0.27A 5ghyA-1hzoA:
41.9		 5ghyA-1hzoA:
41.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GHY_A_CEDA301_1
(BETA-LACTAMASE)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		7 / 12 ALA A  69
SER A  70
SER A 130
ASN A 132
LYS A 234
GLY A 236
TYR A 274
 None
MES  A1000 (-3.1A)
MES  A1000 (-2.7A)
None
MES  A1000 (-2.9A)
MES  A1000 (-3.1A)
None
 0.82A 5ghyA-1hzoA:
41.9		 5ghyA-1hzoA:
41.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GHY_B_CEDB301_1
(BETA-LACTAMASE)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		7 / 12 ALA A  69
SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
 None
MES  A1000 (-3.1A)
MES  A1000 (-2.7A)
None
None
MES  A1000 (-2.9A)
MES  A1000 (-3.1A)
 0.24A 5ghyB-1hzoA:
41.9		 5ghyB-1hzoA:
41.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GHY_B_CEDB301_1
(BETA-LACTAMASE)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		7 / 12 ALA A  69
SER A  70
SER A 130
ASN A 132
LYS A 234
GLY A 236
TYR A 274
 None
MES  A1000 (-3.1A)
MES  A1000 (-2.7A)
None
MES  A1000 (-2.9A)
MES  A1000 (-3.1A)
None
 0.77A 5ghyB-1hzoA:
41.9		 5ghyB-1hzoA:
41.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GHZ_A_CEDA301_1
(BETA-LACTAMASE)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		9 / 11 ALA A  69
SER A  70
TYR A 105
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 None
MES  A1000 (-3.1A)
MES  A1000 (-3.9A)
MES  A1000 (-2.7A)
None
None
MES  A1000 (-2.9A)
MES  A1000 (-3.7A)
MES  A1000 (-3.1A)
 0.28A 5ghzA-1hzoA:
42.0		 5ghzA-1hzoA:
41.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GHZ_B_CEDB301_1
(BETA-LACTAMASE)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		9 / 10 ALA A  69
SER A  70
TYR A 105
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 None
MES  A1000 (-3.1A)
MES  A1000 (-3.9A)
MES  A1000 (-2.7A)
None
None
MES  A1000 (-2.9A)
MES  A1000 (-3.7A)
MES  A1000 (-3.1A)
 0.27A 5ghzB-1hzoA:
42.1		 5ghzB-1hzoA:
41.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HFJ_B_SAMB301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		 4mbo SERINE-RICH REPEAT
ADHESION
GLYCOPROTEIN (SRR1)
(Streptococcus
agalactiae) 		5 / 12 GLN A 615
GLY A 618
SER A 611
THR A 609
TYR A 617
 None
MES  A 706 (-4.1A)
MES  A 706 ( 4.7A)
None
None
 1.31A 5hfjB-4mboA:
undetectable		 5hfjB-4mboA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HI6_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ALA A  15
ASP A  53
SER A 117
LEU A 128
ARG A 131
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
NDP  A1239 (-2.9A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 (-4.1A)
 1.08A 5hi6A-2blbA:
20.0		 5hi6A-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HI6_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
ASP A  53
SER A 120
ILE A 121
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.71A 5hi6A-2blbA:
20.0		 5hi6A-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HI6_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
ASP A  53
SER A 120
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
NDP  A1239 (-3.6A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.53A 5hi6A-2blbA:
20.0		 5hi6A-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HI6_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ALA A  15
ASP A  53
SER A 117
LEU A 128
ARG A 131
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
NDP  A1239 (-2.9A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 (-4.1A)
 1.31A 5hi6B-2blbA:
20.0		 5hi6B-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HI6_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
ASP A  53
SER A 120
ILE A 121
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.91A 5hi6B-2blbA:
20.0		 5hi6B-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HI6_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		8 / 12 ILE A  13
ALA A  15
ASP A  53
SER A 120
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
NDP  A1239 (-3.6A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.72A 5hi6B-2blbA:
20.0		 5hi6B-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I71_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 4m00 SERINE-RICH ADHESIN
FOR PLATELETS
(Staphylococcus
aureus) 		5 / 12 ALA A 349
PHE A 362
GLY A 361
GLY A 354
GLY A 393
 MES  A 805 ( 4.9A)
None
None
None
None
 0.94A 5i71A-4m00A:
undetectable		 5i71A-4m00A:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I73_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 4m00 SERINE-RICH ADHESIN
FOR PLATELETS
(Staphylococcus
aureus) 		5 / 12 ALA A 349
PHE A 362
GLY A 361
GLY A 354
GLY A 393
 MES  A 805 ( 4.9A)
None
None
None
None
 0.98A 5i73A-4m00A:
undetectable		 5i73A-4m00A:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGW_A_CTYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 1wlc CONGERIN II
(Conger
myriaster) 		5 / 12 ILE A  41
GLY A  35
TYR A 122
ASP A  46
ILE A  99
 None
None
MES  A 777 (-4.8A)
None
None
 1.44A 5igwA-1wlcA:
0.7		 5igwA-1wlcA:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IQB_A_KANA600_1
(BIFUNCTIONAL AAC/APH)		 2v84 SPERMIDINE/PUTRESCIN
E ABC TRANSPORTER,
PERIPLASMIC BINDING
PROTEIN
(Treponema
pallidum) 		5 / 12 ASP A 240
ASN A  42
TYR A 238
GLU A 150
GLU A 211
 MES  A1326 (-3.2A)
MES  A1326 (-4.3A)
MES  A1326 (-3.6A)
None
None
 1.30A 5iqbA-2v84A:
0.0		 5iqbA-2v84A:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IQB_B_KANB600_1
(BIFUNCTIONAL AAC/APH)		 2v84 SPERMIDINE/PUTRESCIN
E ABC TRANSPORTER,
PERIPLASMIC BINDING
PROTEIN
(Treponema
pallidum) 		5 / 11 ASP A 240
ASN A  42
TYR A 238
GLU A 150
GLU A 211
 MES  A1326 (-3.2A)
MES  A1326 (-4.3A)
MES  A1326 (-3.6A)
None
None
 1.28A 5iqbB-2v84A:
undetectable		 5iqbB-2v84A:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IQB_D_KAND600_1
(BIFUNCTIONAL AAC/APH)		 2v84 SPERMIDINE/PUTRESCIN
E ABC TRANSPORTER,
PERIPLASMIC BINDING
PROTEIN
(Treponema
pallidum) 		5 / 12 ASP A 240
ASN A  42
TYR A 238
GLU A 150
GLU A 211
 MES  A1326 (-3.2A)
MES  A1326 (-4.3A)
MES  A1326 (-3.6A)
None
None
 1.20A 5iqbD-2v84A:
0.0		 5iqbD-2v84A:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IQE_D_NMYD600_1
(BIFUNCTIONAL AAC/APH)		 2v84 SPERMIDINE/PUTRESCIN
E ABC TRANSPORTER,
PERIPLASMIC BINDING
PROTEIN
(Treponema
pallidum) 		5 / 12 ASP A 240
ASN A  42
TYR A 238
GLU A 150
GLU A 211
 MES  A1326 (-3.2A)
MES  A1326 (-4.3A)
MES  A1326 (-3.6A)
None
None
 1.27A 5iqeD-2v84A:
0.0		 5iqeD-2v84A:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5J4N_B_AG2B501_1
(ARGININE/AGMATINE
ANTIPORTER)		 5fud O-ACETYL-ADP-RIBOSE
DEACETYLASE
(Oceanobacillus
iheyensis) 		4 / 6 ILE A  87
GLY A  31
ASN A  30
ILE A  74
 None
None
MES  A1188 (-4.1A)
None
 0.97A 5j4nB-5fudA:
undetectable		 5j4nB-5fudA:
19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JHD_J_EDTJ301_0
(TCRBETA CHAIN)		 4pc4 30K LIPOPROTEIN
(Bombyx
mori) 		4 / 5 TYR A  80
LYS A  79
GLY A  41
SER A  44
 None
None
None
MES  A 302 ( 4.9A)
 1.45A 5jhdJ-4pc4A:
undetectable		 5jhdJ-4pc4A:
23.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JI0_A_9CRA501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3l6a EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4
GAMMA 2
(Homo
sapiens) 		5 / 11 GLN A 143
LEU A 139
LEU A 144
VAL A 162
LEU A 128
 None
None
None
MES  A 361 (-3.6A)
None
 1.23A 5ji0A-3l6aA:
undetectable		 5ji0A-3l6aA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KC0_A_RBFA303_2
(RIBOFLAVIN
TRANSPORTER RIBU)		 1wk4 TTK003001606
(Thermus
thermophilus) 		3 / 3 LYS A 135
LEU A 143
ILE A  94
 None
None
MES  A 201 (-4.2A)
 0.73A 5kc0A-1wk4A:
undetectable		 5kc0A-1wk4A:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LW1_B_ADNB401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)		 5uuu BETA-ADRENERGIC
RECEPTOR KINASE 1
(Homo
sapiens) 		5 / 9 ILE A 197
GLY A 198
VAL A 205
ALA A 218
MET A 274
 QRW  A 601 (-4.7A)
QRW  A 601 ( 4.5A)
QRW  A 601 (-4.7A)
QRW  A 601 (-3.4A)
MES  A 604 (-3.9A)
 0.60A 5lw1B-5uuuA:
23.5		 5lw1B-5uuuA:
10.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LW1_E_ADNE401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)		 5uuu BETA-ADRENERGIC
RECEPTOR KINASE 1
(Homo
sapiens) 		5 / 10 GLY A 198
VAL A 205
ALA A 218
LEU A 273
MET A 274
 QRW  A 601 ( 4.5A)
QRW  A 601 (-4.7A)
QRW  A 601 (-3.4A)
None
MES  A 604 (-3.9A)
 0.64A 5lw1E-5uuuA:
16.3		 5lw1E-5uuuA:
10.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LW1_H_ADNH401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)		 5uuu BETA-ADRENERGIC
RECEPTOR KINASE 1
(Homo
sapiens) 		5 / 9 GLY A 198
VAL A 205
ALA A 218
LEU A 273
MET A 274
 QRW  A 601 ( 4.5A)
QRW  A 601 (-4.7A)
QRW  A 601 (-3.4A)
None
MES  A 604 (-3.9A)
 0.69A 5lw1H-5uuuA:
23.4		 5lw1H-5uuuA:
10.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MAF_A_XINA403_2
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		 4gua NON-STRUCTURAL
POLYPROTEIN
(Sindbis
virus) 		4 / 5 LEU A1608
CYH A1610
CYH A1653
ASP A1529
 None
ZN  A1719 (-2.3A)
ZN  A1719 (-2.3A)
MES  A1718 (-3.9A)
 1.45A 5mafA-4guaA:
undetectable		 5mafA-4guaA:
9.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NCD_D_ACTD301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 5b8i SERINE/THREONINE-PRO
TEIN PHOSPHATASE
(Coccidioides
immitis) 		4 / 4 ASP A 136
HIS A 217
HIS A 299
HIS A 169
 ZN  A 401 (-2.7A)
ZN  A 401 (-3.5A)
ZN  A 401 ( 3.4A)
MES  A 403 (-3.8A)
 1.50A 5ncdD-5b8iA:
undetectable		 5ncdD-5b8iA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NEK_B_AZMB302_1
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 2c1i PEPTIDOGLYCAN GLCNAC
DEACETYLASE
(Streptococcus
pneumoniae) 		6 / 8 ASP A 276
HIS A 326
HIS A 330
PRO A 366
TRP A 392
HIS A 417
 ZN  A1465 ( 2.3A)
ZN  A1465 ( 3.2A)
ZN  A1465 ( 3.2A)
SO4  A1467 (-4.9A)
MES  A1464 (-3.3A)
SO4  A1467 (-3.9A)
 0.62A 5nekB-2c1iA:
25.7		 5nekB-2c1iA:
18.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NEK_D_AZMD302_1
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 2c1i PEPTIDOGLYCAN GLCNAC
DEACETYLASE
(Streptococcus
pneumoniae) 		6 / 8 ASP A 276
HIS A 326
HIS A 330
TRP A 385
TRP A 392
HIS A 417
 ZN  A1465 ( 2.3A)
ZN  A1465 ( 3.2A)
ZN  A1465 ( 3.2A)
None
MES  A1464 (-3.3A)
SO4  A1467 (-3.9A)
 0.77A 5nekD-2c1iA:
25.6		 5nekD-2c1iA:
18.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NOO_A_D16A402_1
(THYMIDYLATE SYNTHASE)		 2gxf HYPOTHETICAL PROTEIN
YYBH
(Bacillus
subtilis) 		4 / 7 TYR A 104
ILE A   9
LEU A  72
PHE A 106
 MES  A 201 (-3.3A)
MES  A 201 (-4.2A)
None
MES  A 201 (-4.7A)
 0.83A 5nooA-2gxfA:
undetectable		 5nooA-2gxfA:
17.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NOO_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 2gxf HYPOTHETICAL PROTEIN
YYBH
(Bacillus
subtilis) 		4 / 8 TYR A 104
ILE A   9
LEU A  72
PHE A 106
 MES  A 201 (-3.3A)
MES  A 201 (-4.2A)
None
MES  A 201 (-4.7A)
 0.81A 5nooD-2gxfA:
undetectable		 5nooD-2gxfA:
17.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NY7_A_NCAA303_0
(AMIDASE)		 3otl PUTATIVE
UNCHARACTERIZED
PROTEIN
(Rhizobium
leguminosarum) 		4 / 6 ARG A 135
THR A 104
GLU A 121
SER A 102
 MES  A 159 (-3.8A)
None
None
None
 1.01A 5ny7A-3otlA:
undetectable		 5ny7A-3otlA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5O4Y_F_CCSF14_0
(PHE-MAA-ASN-PRO-HIS-
LEU-SER-TRP-SER-TRP-
9KK-9KK-ARG-CCS-GLY-
NH2)		 4aie GLUCAN
1,6-ALPHA-GLUCOSIDAS
E
(Lactobacillus
acidophilus) 		4 / 6 LEU A  29
SER A  34
ARG A  35
GLY A  31
 None
None
MES  A1547 (-3.9A)
None
 1.13A 5o4yF-4aieA:
undetectable		 5o4yF-4aieA:
2.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OY0_B_PQNB1844_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 3iwr CHITINASE
(Oryza
sativa) 		5 / 10 PHE A 121
ILE A 204
ALA A 241
LEU A 242
ALA A 124
 None
MES  A   1 (-4.6A)
None
None
None
 1.08A 5oy0b-3iwrA:
undetectable		 5oy0b-3iwrA:
13.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5T7B_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		 4pmn TAT-SECRETED PROTEIN
RV2525C
(Mycobacterium
tuberculosis) 		4 / 7 LEU A 127
TYR A  65
LYS A  79
PRO A  80
 GOL  A 302 (-4.9A)
None
MES  A 301 (-2.7A)
None
 1.06A 5t7bA-4pmnA:
undetectable		 5t7bA-4pmnA:
13.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5T8S_B_SAMB402_1
(S-ADENOSYLMETHIONINE
SYNTHASE)		 2zm2 6-AMINOHEXANOATE-DIM
ER HYDROLASE
(Flavobacterium
sp.) 		4 / 8 HIS A 266
ASP A 221
THR A 260
PHE A 262
 MES  A 504 (-4.0A)
None
None
None
 1.17A 5t8sB-2zm2A:
undetectable		 5t8sB-2zm2A:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TRQ_B_ACTB306_0
(WELO5)		 4la2 DIMETHYLSULPHONIOPRO
PIONATE (DMSP) LYASE
DDDQ
(Ruegeria
lacuscaerulensis) 		3 / 3 GLU A  94
ARG A 108
TYR A 110
 None
None
MES  A 202 ( 4.3A)
 0.51A 5trqB-4la2A:
6.8		 5trqB-4la2A:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5U4S_B_BEZB301_0
(PUTATIVE SHORT CHAIN
DEHYDROGENASE)		 3m03 ORIGIN RECOGNITION
COMPLEX SUBUNIT 6
(Homo
sapiens) 		4 / 8 ILE A  96
LEU A 101
LEU A 145
PRO A 138
 None
None
None
MES  A   1 (-3.5A)
 1.02A 5u4sB-3m03A:
undetectable		 5u4sB-3m03A:
16.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UAN_A_9CRA503_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3l6a EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4
GAMMA 2
(Homo
sapiens) 		5 / 12 ALA A 111
GLN A 143
LEU A 144
VAL A 162
LEU A 128
 None
None
None
MES  A 361 (-3.6A)
None
 1.00A 5uanA-3l6aA:
undetectable		 5uanA-3l6aA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UJX_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
ILE A 121
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.75A 5ujxA-2blbA:
19.3		 5ujxA-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UJX_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
PHE A  57
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.39A 5ujxA-2blbA:
19.3		 5ujxA-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UJX_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ILE A  13
ALA A  15
ILE A 121
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.73A 5ujxB-2blbA:
19.6		 5ujxB-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UJX_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
PHE A  57
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.38A 5ujxB-2blbA:
19.6		 5ujxB-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V9J_A_SAMA1301_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 SER A 264
TYR A 261
PHE A 267
CYH A 115
ARG A 769
 None
None
None
GOL  A1979 (-4.4A)
MES  A1977 ( 3.6A)
 1.34A 5v9jA-2ivfA:
undetectable		 5v9jA-2ivfA:
13.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VCG_A_08YA602_2
(CYTOCHROME P450 3A4)		 2o3b NUCLEASE
SUGAR-NON-SPECIFIC
NUCLEASE INHIBITOR
(Nostoc
sp.
PCC
7120) 		3 / 3 ARG B  69
ARG A  93
ARG A 122
 MES  A 900 (-4.4A)
None
None
 0.70A 5vcgA-2o3bB:
undetectable		 5vcgA-2o3bB:
15.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VLM_H_CVIH301_1
(REGULATORY PROTEIN
TETR)		 4pbq PUTATIVE TRAP
PERIPLASMIC SOLUTE
BINDING PROTEIN
(Haemophilus
influenzae) 		4 / 8 GLN A  69
GLY A  71
ILE A  85
GLN A 238
 None
None
MES  A 403 (-4.6A)
None
 0.92A 5vlmH-4pbqA:
undetectable		 5vlmH-4pbqA:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VSD_B_SAMB3001_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 SER A 264
TYR A 261
PHE A 267
CYH A 115
ARG A 769
 None
None
None
GOL  A1979 (-4.4A)
MES  A1977 ( 3.6A)
 1.25A 5vsdB-2ivfA:
undetectable		 5vsdB-2ivfA:
12.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VSF_B_SAMB3001_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 12 SER A 264
TYR A 261
PHE A 267
CYH A 115
ARG A 769
 None
None
None
GOL  A1979 (-4.4A)
MES  A1977 ( 3.6A)
 1.23A 5vsfB-2ivfA:
undetectable		 5vsfB-2ivfA:
12.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUJ_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2v2f PENICILLIN BINDING
PROTEIN 1A
(Streptococcus
pneumoniae) 		4 / 7 MET F 583
ARG F 366
VAL F 329
GLU F 582
 None
None
None
MES  F1653 (-3.5A)
 1.34A 5vujA-2v2fF:
undetectable
5vujB-2v2fF:
undetectable		 5vujA-2v2fF:
23.81
5vujB-2v2fF:
23.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X1F_G_CHDG104_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 1wk4 TTK003001606
(Thermus
thermophilus) 		5 / 11 PHE A 139
GLY A 136
GLN A 101
THR A  21
THR A  25
 MES  A 201 ( 4.3A)
MES  A 201 (-3.3A)
None
None
None
 1.23A 5x1fG-1wk4A:
0.0
5x1fN-1wk4A:
undetectable
5x1fO-1wk4A:
0.0		 5x1fG-1wk4A:
18.86
5x1fN-1wk4A:
14.65
5x1fO-1wk4A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X6Y_A_SAMA902_0
(MRNA CAPPING ENZYME
P5)		 3iwr CHITINASE
(Oryza
sativa) 		5 / 12 GLY A 279
PRO A 276
ALA A 275
THR A 282
VAL A 285
 None
MPD  A 341 (-4.8A)
None
None
MES  A   1 (-4.8A)
 1.21A 5x6yA-3iwrA:
undetectable		 5x6yA-3iwrA:
15.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X7P_A_ACRA1471_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 5x7s GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE
(Paenibacillus
sp.
598K) 		12 / 12 ARG A 362
ARG A 368
TYR A 373
ASP A1160
LEU A1165
GLU A1169
ARG A1177
TYR A1179
HIS A1181
ASN A1213
THR A1269
HIS A1271
 None
None
MES  A1707 (-3.6A)
None
None
None
None
None
None
MES  A1707 (-3.4A)
None
None
 0.39A 5x7pA-5x7sA:
59.0		 5x7pA-5x7sA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X7P_B_ACRB1471_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 5x7s GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE
(Paenibacillus
sp.
598K) 		12 / 12 ARG A 362
ARG A 368
ASP A1160
GLY A1162
LEU A1165
GLU A1169
ARG A1177
TYR A1179
HIS A1181
ASN A1213
THR A1269
HIS A1271
 None
None
None
None
None
None
None
None
None
MES  A1707 (-3.4A)
None
None
 0.61A 5x7pB-5x7sA:
58.3		 5x7pB-5x7sA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X7P_B_ACRB1471_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 5x7s GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE
(Paenibacillus
sp.
598K) 		6 / 12 GLY A1170
GLU A1169
ARG A1177
ASN A1213
THR A1269
HIS A1271
 None
None
None
MES  A1707 (-3.4A)
None
None
 1.40A 5x7pB-5x7sA:
58.3		 5x7pB-5x7sA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDQ_B_CHDB304_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 1wk4 TTK003001606
(Thermus
thermophilus) 		5 / 11 GLN A 101
THR A  21
THR A  25
PHE A 139
GLY A 136
 None
None
None
MES  A 201 ( 4.3A)
MES  A 201 (-3.3A)
 1.16A 5xdqA-1wk4A:
undetectable
5xdqB-1wk4A:
0.0
5xdqT-1wk4A:
0.0		 5xdqA-1wk4A:
14.65
5xdqB-1wk4A:
21.15
5xdqT-1wk4A:
18.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDX_B_CHDB302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 1wk4 TTK003001606
(Thermus
thermophilus) 		5 / 11 GLN A 101
THR A  21
THR A  25
PHE A 139
GLY A 136
 None
None
None
MES  A 201 ( 4.3A)
MES  A 201 (-3.3A)
 1.15A 5xdxA-1wk4A:
undetectable
5xdxB-1wk4A:
0.0
5xdxT-1wk4A:
0.0		 5xdxA-1wk4A:
14.65
5xdxB-1wk4A:
21.15
5xdxT-1wk4A:
18.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z6F_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
PHE A  57
ILE A 121
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.70A 5z6fA-2blbA:
20.8		 5z6fA-2blbA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z6J_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ILE A  13
ALA A  15
ILE A 121
LEU A 128
ILE A 173
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
CP7  A1240 (-4.1A)
 0.74A 5z6jA-2blbA:
20.8		 5z6jA-2blbA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z6J_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
PHE A  57
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.45A 5z6jA-2blbA:
20.8		 5z6jA-2blbA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z6K_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		6 / 12 ILE A  13
ALA A  15
ILE A 121
LEU A 128
ILE A 173
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
CP7  A1240 (-4.1A)
 0.79A 5z6kA-2blbA:
20.7		 5z6kA-2blbA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z6K_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
PHE A  57
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.47A 5z6kA-2blbA:
20.7		 5z6kA-2blbA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z6L_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		5 / 9 ILE A  13
ALA A  15
ASP A  53
ILE A 121
PRO A 129
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
None
 0.82A 5z6lA-2blbA:
20.3		 5z6lA-2blbA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z6L_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		5 / 9 ILE A  13
ALA A  15
ASP A  53
PRO A 129
ARG A 131
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
None
MES  A1241 (-2.7A)
 0.41A 5z6lA-2blbA:
20.3		 5z6lA-2blbA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z6M_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		5 / 11 ALA A  15
ASP A  53
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.90A 5z6mA-2blbA:
19.7		 5z6mA-2blbA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z6M_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 11 ILE A  13
ALA A  15
PHE A  57
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.60A 5z6mA-2blbA:
19.7		 5z6mA-2blbA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z84_B_CHDB301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 1wk4 TTK003001606
(Thermus
thermophilus) 		5 / 11 GLN A 101
THR A  21
THR A  25
PHE A 139
GLY A 136
 None
None
None
MES  A 201 ( 4.3A)
MES  A 201 (-3.3A)
 1.13A 5z84A-1wk4A:
0.3
5z84B-1wk4A:
0.0
5z84T-1wk4A:
0.0		 5z84A-1wk4A:
14.65
5z84B-1wk4A:
21.15
5z84T-1wk4A:
18.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z86_B_CHDB302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 1wk4 TTK003001606
(Thermus
thermophilus) 		5 / 11 GLN A 101
THR A  21
THR A  25
PHE A 139
GLY A 136
 None
None
None
MES  A 201 ( 4.3A)
MES  A 201 (-3.3A)
 1.13A 5z86A-1wk4A:
undetectable
5z86B-1wk4A:
0.0
5z86T-1wk4A:
0.0		 5z86A-1wk4A:
14.65
5z86B-1wk4A:
21.15
5z86T-1wk4A:
18.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCO_B_CHDB302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 1wk4 TTK003001606
(Thermus
thermophilus) 		5 / 11 GLN A 101
THR A  21
THR A  25
PHE A 139
GLY A 136
 None
None
None
MES  A 201 ( 4.3A)
MES  A 201 (-3.3A)
 1.16A 5zcoA-1wk4A:
undetectable
5zcoB-1wk4A:
0.0
5zcoT-1wk4A:
0.0		 5zcoA-1wk4A:
14.65
5zcoB-1wk4A:
21.15
5zcoT-1wk4A:
18.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCP_B_CHDB301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 1wk4 TTK003001606
(Thermus
thermophilus) 		5 / 11 GLN A 101
THR A  21
THR A  25
PHE A 139
GLY A 136
 None
None
None
MES  A 201 ( 4.3A)
MES  A 201 (-3.3A)
 1.14A 5zcpA-1wk4A:
0.7
5zcpB-1wk4A:
0.0
5zcpT-1wk4A:
0.0		 5zcpA-1wk4A:
14.65
5zcpB-1wk4A:
21.15
5zcpT-1wk4A:
18.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCQ_B_CHDB301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 1wk4 TTK003001606
(Thermus
thermophilus) 		5 / 11 GLN A 101
THR A  21
THR A  25
PHE A 139
GLY A 136
 None
None
None
MES  A 201 ( 4.3A)
MES  A 201 (-3.3A)
 1.11A 5zcqA-1wk4A:
undetectable
5zcqB-1wk4A:
0.0
5zcqT-1wk4A:
0.0		 5zcqA-1wk4A:
14.65
5zcqB-1wk4A:
21.15
5zcqT-1wk4A:
18.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B5V_A_ECLA1001_1
(TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 5)		 3l6a EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4
GAMMA 2
(Homo
sapiens) 		4 / 7 PHE A 157
ILE A 121
PHE A  85
LEU A 124
 MES  A 362 (-4.8A)
None
None
None
 0.86A 6b5vA-3l6aA:
undetectable
6b5vC-3l6aA:
1.5		 6b5vA-3l6aA:
13.23
6b5vC-3l6aA:
13.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B5V_B_ECLB1001_1
(TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 5)		 2pk9 PHO85 CYCLIN PHO80
(Saccharomyces
cerevisiae) 		4 / 7 ALA B 126
ILE B  47
LEU B 114
ILE B  75
 None
None
None
MES  B 294 (-4.0A)
 0.89A 6b5vA-2pk9B:
undetectable
6b5vB-2pk9B:
undetectable		 6b5vA-2pk9B:
14.34
6b5vB-2pk9B:
14.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B5V_C_ECLC1001_1
(TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 5)		 3l6a EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4
GAMMA 2
(Homo
sapiens) 		4 / 7 PHE A 157
ILE A 121
PHE A  85
LEU A 124
 MES  A 362 (-4.8A)
None
None
None
 0.85A 6b5vC-3l6aA:
1.5
6b5vD-3l6aA:
1.9		 6b5vC-3l6aA:
13.23
6b5vD-3l6aA:
13.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B5V_D_ECLD1001_1
(TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 5)		 3l6a EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4
GAMMA 2
(Homo
sapiens) 		4 / 7 PHE A 157
ILE A 121
PHE A  85
LEU A 124
 MES  A 362 (-4.8A)
None
None
None
 0.86A 6b5vB-3l6aA:
2.9
6b5vD-3l6aA:
1.9		 6b5vB-3l6aA:
13.23
6b5vD-3l6aA:
13.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B5Y_A_9F2A302_1
(BETA-LACTAMASE)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		5 / 9 PRO A 107
TYR A 129
THR A 215
THR A 216
ASP A 240
 None
None
None
MES  A1000 (-3.7A)
None
 0.71A 6b5yA-1hzoA:
41.1
6b5yB-1hzoA:
41.2		 6b5yA-1hzoA:
22.58
6b5yB-1hzoA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B5Y_B_9F2B400_1
(BETA-LACTAMASE)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		9 / 12 SER A  70
SER A 130
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
ASP A 240
 MES  A1000 (-3.1A)
MES  A1000 (-2.7A)
None
MES  A1000 (-3.7A)
MES  A1000 (-2.9A)
MES  A1000 (-3.7A)
MES  A1000 (-3.1A)
None
None
 0.54A 6b5yB-1hzoA:
41.2		 6b5yB-1hzoA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B5Y_B_9F2B400_1
(BETA-LACTAMASE)		 2v2f PENICILLIN BINDING
PROTEIN 1A
(Streptococcus
pneumoniae) 		6 / 12 SER F 428
THR F 543
LYS F 557
THR F 558
GLY F 559
THR F 560
 MES  F1653 (-3.1A)
MES  F1653 (-3.7A)
MES  F1653 ( 4.0A)
MES  F1653 (-3.8A)
MES  F1653 (-3.6A)
MES  F1653 (-3.6A)
 0.73A 6b5yB-2v2fF:
7.2		 6b5yB-2v2fF:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B5Y_D_9F2D400_1
(BETA-LACTAMASE)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		9 / 12 SER A  70
SER A 130
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
ASP A 240
 MES  A1000 (-3.1A)
MES  A1000 (-2.7A)
None
MES  A1000 (-3.7A)
MES  A1000 (-2.9A)
MES  A1000 (-3.7A)
MES  A1000 (-3.1A)
None
None
 0.56A 6b5yD-1hzoA:
41.3		 6b5yD-1hzoA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B5Y_D_9F2D400_1
(BETA-LACTAMASE)		 2v2f PENICILLIN BINDING
PROTEIN 1A
(Streptococcus
pneumoniae) 		6 / 12 SER F 428
THR F 543
LYS F 557
THR F 558
GLY F 559
THR F 560
 MES  F1653 (-3.1A)
MES  F1653 (-3.7A)
MES  F1653 ( 4.0A)
MES  F1653 (-3.8A)
MES  F1653 (-3.6A)
MES  F1653 (-3.6A)
 0.81A 6b5yD-2v2fF:
17.4		 6b5yD-2v2fF:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B68_A_9F2A302_1
(BETA-LACTAMASE)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		5 / 9 PRO A 107
TYR A 129
THR A 215
THR A 216
ASP A 240
 None
None
None
MES  A1000 (-3.7A)
None
 0.71A 6b68A-1hzoA:
41.3
6b68B-1hzoA:
41.4		 6b68A-1hzoA:
22.58
6b68B-1hzoA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B68_B_9F2B301_1
(BETA-LACTAMASE)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		9 / 12 SER A  70
SER A 130
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
ASP A 240
 MES  A1000 (-3.1A)
MES  A1000 (-2.7A)
None
MES  A1000 (-3.7A)
MES  A1000 (-2.9A)
MES  A1000 (-3.7A)
MES  A1000 (-3.1A)
None
None
 0.46A 6b68B-1hzoA:
41.4		 6b68B-1hzoA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B68_B_9F2B301_1
(BETA-LACTAMASE)		 2v2f PENICILLIN BINDING
PROTEIN 1A
(Streptococcus
pneumoniae) 		6 / 12 SER F 428
THR F 543
LYS F 557
THR F 558
GLY F 559
THR F 560
 MES  F1653 (-3.1A)
MES  F1653 (-3.7A)
MES  F1653 ( 4.0A)
MES  F1653 (-3.8A)
MES  F1653 (-3.6A)
MES  F1653 (-3.6A)
 0.59A 6b68B-2v2fF:
17.4		 6b68B-2v2fF:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B68_D_9F2D400_1
(BETA-LACTAMASE)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		8 / 12 SER A  70
SER A 130
ASN A 170
THR A 216
LYS A 234
GLY A 236
GLY A 238
ASP A 240
 MES  A1000 (-3.1A)
MES  A1000 (-2.7A)
None
MES  A1000 (-3.7A)
MES  A1000 (-2.9A)
MES  A1000 (-3.1A)
None
None
 0.51A 6b68D-1hzoA:
41.3		 6b68D-1hzoA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B68_D_9F2D400_1
(BETA-LACTAMASE)		 2v2f PENICILLIN BINDING
PROTEIN 1A
(Streptococcus
pneumoniae) 		5 / 12 SER F 428
THR F 543
LYS F 557
GLY F 559
THR F 560
 MES  F1653 (-3.1A)
MES  F1653 (-3.7A)
MES  F1653 ( 4.0A)
MES  F1653 (-3.6A)
MES  F1653 (-3.6A)
 0.64A 6b68D-2v2fF:
17.5		 6b68D-2v2fF:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B69_A_9F2A302_1
(BETA-LACTAMASE)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		5 / 9 PRO A 107
TYR A 129
THR A 215
THR A 216
ASP A 240
 None
None
None
MES  A1000 (-3.7A)
None
 0.72A 6b69A-1hzoA:
41.2
6b69B-1hzoA:
41.3		 6b69A-1hzoA:
22.58
6b69B-1hzoA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B69_B_9F2B301_1
(BETA-LACTAMASE)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		10 / 12 SER A  70
SER A 130
PRO A 167
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
ASP A 240
 MES  A1000 (-3.1A)
MES  A1000 (-2.7A)
None
None
MES  A1000 (-3.7A)
MES  A1000 (-2.9A)
MES  A1000 (-3.7A)
MES  A1000 (-3.1A)
None
None
 0.46A 6b69A-1hzoA:
41.2
6b69B-1hzoA:
41.3		 6b69A-1hzoA:
22.58
6b69B-1hzoA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B69_B_9F2B301_1
(BETA-LACTAMASE)		 2v2f PENICILLIN BINDING
PROTEIN 1A
(Streptococcus
pneumoniae) 		6 / 12 SER F 428
THR F 543
LYS F 557
THR F 558
GLY F 559
THR F 560
 MES  F1653 (-3.1A)
MES  F1653 (-3.7A)
MES  F1653 ( 4.0A)
MES  F1653 (-3.8A)
MES  F1653 (-3.6A)
MES  F1653 (-3.6A)
 0.56A 6b69A-2v2fF:
17.1
6b69B-2v2fF:
17.2		 6b69A-2v2fF:
12.50
6b69B-2v2fF:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B69_C_9F2C302_1
(BETA-LACTAMASE)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		5 / 9 PRO A 107
TYR A 129
THR A 215
THR A 216
ASP A 240
 None
None
None
MES  A1000 (-3.7A)
None
 0.70A 6b69C-1hzoA:
41.3
6b69D-1hzoA:
41.3		 6b69C-1hzoA:
22.58
6b69D-1hzoA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B69_D_9F2D301_1
(BETA-LACTAMASE)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		8 / 12 SER A  70
SER A 130
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
 MES  A1000 (-3.1A)
MES  A1000 (-2.7A)
None
MES  A1000 (-3.7A)
MES  A1000 (-2.9A)
MES  A1000 (-3.7A)
MES  A1000 (-3.1A)
None
 0.32A 6b69D-1hzoA:
41.3		 6b69D-1hzoA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B69_D_9F2D301_1
(BETA-LACTAMASE)		 2v2f PENICILLIN BINDING
PROTEIN 1A
(Streptococcus
pneumoniae) 		6 / 12 SER F 370
SER F 428
THR F 543
LYS F 557
THR F 558
GLY F 559
 MES  F1653 (-2.7A)
MES  F1653 (-3.1A)
MES  F1653 (-3.7A)
MES  F1653 ( 4.0A)
MES  F1653 (-3.8A)
MES  F1653 (-3.6A)
 0.74A 6b69D-2v2fF:
7.3		 6b69D-2v2fF:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B69_D_9F2D301_1
(BETA-LACTAMASE)		 2v2f PENICILLIN BINDING
PROTEIN 1A
(Streptococcus
pneumoniae) 		6 / 12 SER F 428
THR F 543
LYS F 557
THR F 558
GLY F 559
THR F 560
 MES  F1653 (-3.1A)
MES  F1653 (-3.7A)
MES  F1653 ( 4.0A)
MES  F1653 (-3.8A)
MES  F1653 (-3.6A)
MES  F1653 (-3.6A)
 0.57A 6b69D-2v2fF:
7.3		 6b69D-2v2fF:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6A_B_9F2B301_1
(BETA-LACTAMASE)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		9 / 12 SER A  70
SER A 130
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
ASP A 240
 MES  A1000 (-3.1A)
MES  A1000 (-2.7A)
None
MES  A1000 (-3.7A)
MES  A1000 (-2.9A)
MES  A1000 (-3.7A)
MES  A1000 (-3.1A)
None
None
 0.49A 6b6aB-1hzoA:
41.3		 6b6aB-1hzoA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6A_B_9F2B301_1
(BETA-LACTAMASE)		 2v2f PENICILLIN BINDING
PROTEIN 1A
(Streptococcus
pneumoniae) 		6 / 12 SER F 428
THR F 543
LYS F 557
THR F 558
GLY F 559
THR F 560
 MES  F1653 (-3.1A)
MES  F1653 (-3.7A)
MES  F1653 ( 4.0A)
MES  F1653 (-3.8A)
MES  F1653 (-3.6A)
MES  F1653 (-3.6A)
 0.62A 6b6aB-2v2fF:
17.6		 6b6aB-2v2fF:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6A_D_9F2D301_1
(BETA-LACTAMASE)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		8 / 12 SER A  70
SER A 130
ASN A 170
LYS A 234
THR A 235
GLY A 236
GLY A 238
ASP A 240
 MES  A1000 (-3.1A)
MES  A1000 (-2.7A)
None
MES  A1000 (-2.9A)
MES  A1000 (-3.7A)
MES  A1000 (-3.1A)
None
None
 0.38A 6b6aD-1hzoA:
41.3		 6b6aD-1hzoA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6C_A_9F2A301_1
(BETA-LACTAMASE)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		8 / 12 SER A  70
SER A 130
PRO A 167
ASN A 170
LYS A 234
THR A 235
GLY A 236
GLY A 238
 MES  A1000 (-3.1A)
MES  A1000 (-2.7A)
None
None
MES  A1000 (-2.9A)
MES  A1000 (-3.7A)
MES  A1000 (-3.1A)
None
 0.31A 6b6cA-1hzoA:
41.1		 6b6cA-1hzoA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6D_A_9F2A302_1
(BETA-LACTAMASE)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		7 / 12 SER A  70
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
 MES  A1000 (-3.1A)
None
MES  A1000 (-3.7A)
MES  A1000 (-2.9A)
MES  A1000 (-3.7A)
MES  A1000 (-3.1A)
None
 0.37A 6b6dA-1hzoA:
40.8		 6b6dA-1hzoA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6D_A_9F2A302_1
(BETA-LACTAMASE)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		7 / 12 SER A  70
SER A 130
ASN A 170
LYS A 234
THR A 235
GLY A 236
GLY A 238
 MES  A1000 (-3.1A)
MES  A1000 (-2.7A)
None
MES  A1000 (-2.9A)
MES  A1000 (-3.7A)
MES  A1000 (-3.1A)
None
 0.58A 6b6dA-1hzoA:
40.8		 6b6dA-1hzoA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6D_A_9F2A302_1
(BETA-LACTAMASE)		 2v2f PENICILLIN BINDING
PROTEIN 1A
(Streptococcus
pneumoniae) 		6 / 12 SER F 370
SER F 428
THR F 543
LYS F 557
THR F 558
GLY F 559
 MES  F1653 (-2.7A)
MES  F1653 (-3.1A)
MES  F1653 (-3.7A)
MES  F1653 ( 4.0A)
MES  F1653 (-3.8A)
MES  F1653 (-3.6A)
 0.84A 6b6dA-2v2fF:
17.3		 6b6dA-2v2fF:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6D_A_9F2A302_1
(BETA-LACTAMASE)		 2v2f PENICILLIN BINDING
PROTEIN 1A
(Streptococcus
pneumoniae) 		6 / 12 SER F 428
THR F 543
LYS F 557
THR F 558
GLY F 559
THR F 560
 MES  F1653 (-3.1A)
MES  F1653 (-3.7A)
MES  F1653 ( 4.0A)
MES  F1653 (-3.8A)
MES  F1653 (-3.6A)
MES  F1653 (-3.6A)
 0.78A 6b6dA-2v2fF:
17.3		 6b6dA-2v2fF:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6E_A_9F2A302_1
(BETA-LACTAMASE)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		8 / 12 SER A  70
SER A 130
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
 MES  A1000 (-3.1A)
MES  A1000 (-2.7A)
None
MES  A1000 (-3.7A)
MES  A1000 (-2.9A)
MES  A1000 (-3.7A)
MES  A1000 (-3.1A)
None
 0.33A 6b6eA-1hzoA:
41.1		 6b6eA-1hzoA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6E_A_9F2A302_1
(BETA-LACTAMASE)		 2v2f PENICILLIN BINDING
PROTEIN 1A
(Streptococcus
pneumoniae) 		6 / 12 SER F 370
SER F 428
THR F 543
LYS F 557
THR F 558
GLY F 559
 MES  F1653 (-2.7A)
MES  F1653 (-3.1A)
MES  F1653 (-3.7A)
MES  F1653 ( 4.0A)
MES  F1653 (-3.8A)
MES  F1653 (-3.6A)
 0.81A 6b6eA-2v2fF:
17.5		 6b6eA-2v2fF:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6E_A_9F2A302_1
(BETA-LACTAMASE)		 2v2f PENICILLIN BINDING
PROTEIN 1A
(Streptococcus
pneumoniae) 		6 / 12 SER F 428
THR F 543
LYS F 557
THR F 558
GLY F 559
THR F 560
 MES  F1653 (-3.1A)
MES  F1653 (-3.7A)
MES  F1653 ( 4.0A)
MES  F1653 (-3.8A)
MES  F1653 (-3.6A)
MES  F1653 (-3.6A)
 0.65A 6b6eA-2v2fF:
17.5		 6b6eA-2v2fF:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6F_A_9F2A301_1
(BETA-LACTAMASE)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		9 / 12 SER A  70
SER A 130
PRO A 167
ASN A 170
LYS A 234
THR A 235
GLY A 236
GLY A 238
ASP A 240
 MES  A1000 (-3.1A)
MES  A1000 (-2.7A)
None
None
MES  A1000 (-2.9A)
MES  A1000 (-3.7A)
MES  A1000 (-3.1A)
None
None
 0.43A 6b6fA-1hzoA:
40.8		 6b6fA-1hzoA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B89_B_NOVB403_1
(LIPOPOLYSACCHARIDE
EXPORT SYSTEM
ATP-BINDING PROTEIN
LPTB)		 4asy GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E
(Pseudomonas
aeruginosa) 		4 / 7 ARG A 209
LEU A 212
ALA A 156
GLN A 181
 None
None
MES  A1296 (-3.1A)
None
 1.12A 6b89A-4asyA:
undetectable		 6b89A-4asyA:
16.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B8K_A_W9TA300_0
(GALECTIN-3)		 1wlc CONGERIN II
(Conger
myriaster) 		6 / 7 HIS A  44
ARG A  48
ASN A  61
TRP A  69
GLU A  72
ARG A  74
 MES  A 777 ( 4.6A)
None
None
None
None
None
 0.50A 6b8kA-1wlcA:
19.5		 6b8kA-1wlcA:
30.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B94_A_W9TA201_0
(GALECTIN-1)		 1wlc CONGERIN II
(Conger
myriaster) 		6 / 8 HIS A  44
ARG A  48
ASN A  61
TRP A  69
GLU A  72
ARG A  74
 MES  A 777 ( 4.6A)
None
None
None
None
None
 0.51A 6b94A-1wlcA:
24.0		 6b94A-1wlcA:
29.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B94_B_W9TB201_0
(GALECTIN-1)		 1wlc CONGERIN II
(Conger
myriaster) 		7 / 10 HIS A  44
ARG A  48
ASP A  54
ASN A  61
TRP A  69
GLU A  72
ARG A  74
 MES  A 777 ( 4.6A)
None
None
None
None
None
None
 0.63A 6b94A-1wlcA:
24.0
6b94B-1wlcA:
23.5		 6b94A-1wlcA:
29.89
6b94B-1wlcA:
29.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6C79_A_CE3A301_1
(BETA-LACTAMASE
TOHO-1)		 1hzo BETA-LACTAMASE
(Proteus
vulgaris) 		9 / 12 TYR A 105
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 236
SER A 237
GLY A 238
 MES  A1000 (-3.9A)
MES  A1000 (-2.7A)
None
None
MES  A1000 (-3.7A)
MES  A1000 (-2.9A)
MES  A1000 (-3.1A)
MES  A1000 (-2.7A)
None
 0.59A 6c79A-1hzoA:
46.6		 6c79A-1hzoA:
62.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C79_A_CE3A301_1
(BETA-LACTAMASE
TOHO-1)		 2v2f PENICILLIN BINDING
PROTEIN 1A
(Streptococcus
pneumoniae) 		5 / 12 SER F 428
ASN F 430
THR F 543
LYS F 557
GLY F 559
 MES  F1653 (-3.1A)
None
MES  F1653 (-3.7A)
MES  F1653 ( 4.0A)
MES  F1653 (-3.6A)
 0.47A 6c79A-2v2fF:
17.6		 6c79A-2v2fF:
13.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CGG_D_84GD600_0
(BIFUNCTIONAL AAC/APH)		 2v84 SPERMIDINE/PUTRESCIN
E ABC TRANSPORTER,
PERIPLASMIC BINDING
PROTEIN
(Treponema
pallidum) 		5 / 11 ASP A 240
ASN A  42
TYR A 238
GLU A 150
GLU A 211
 MES  A1326 (-3.2A)
MES  A1326 (-4.3A)
MES  A1326 (-3.6A)
None
None
 1.18A 6cggD-2v84A:
0.1		 6cggD-2v84A:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CI6_A_NBOA606_1
(SERUM ALBUMIN)		 4lih GAMMA-GLUTAMYL-GAMMA
-AMINOBUTYRALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		5 / 12 PHE A 465
TYR A 455
GLY A 466
SER A 471
SER A 305
 MES  A 501 ( 4.9A)
None
None
None
None
 1.36A 6ci6A-4lihA:
undetectable		 6ci6A-4lihA:
10.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DH0_A_017A101_2
(PROTEASE)		 3q62 3-HYDROXYDECANOYL-[A
CYL-CARRIER-PROTEIN]
DEHYDRATASE
(Yersinia
pestis) 		3 / 3 LEU A 107
ASP A 145
ILE A 129
 MES  A 173 (-4.8A)
None
None
 0.65A 6dh0B-3q62A:
undetectable		 6dh0B-3q62A:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DJZ_B_GMJB301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 2atm HYALURONOGLUCOSAMINI
DASE
(Vespula
vulgaris) 		4 / 6 TYR A 184
ASP A 107
VAL A 105
GLU A 109
 None
MES  A 500 (-3.6A)
None
MES  A 500 (-3.6A)
 1.17A 6djzB-2atmA:
undetectable		 6djzB-2atmA:
19.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)		 3imk PUTATIVE MOLYBDENUM
CARRIER PROTEIN
(Syntrophus
aciditrophicus) 		5 / 12 SER A  12
ASP A  19
GLY A  17
ILE A  10
LEU A 152
 None
GOL  A 158 (-2.9A)
MES  A 160 (-3.5A)
None
None
 0.96A 6dwnC-3imkA:
undetectable		 6dwnC-3imkA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6G31_A_ZOLA401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 4pmn TAT-SECRETED PROTEIN
RV2525C
(Mycobacterium
tuberculosis) 		4 / 7 ASP A 227
ASP A  43
GLN A 213
GLN A 101
 MES  A 301 (-3.6A)
MES  A 301 ( 4.2A)
MES  A 301 (-2.9A)
MES  A 301 (-3.3A)
 1.29A 6g31A-4pmnA:
undetectable		 6g31A-4pmnA:
15.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6G31_B_ZOLB401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 4pmn TAT-SECRETED PROTEIN
RV2525C
(Mycobacterium
tuberculosis) 		4 / 6 ASP A 227
ASP A  43
GLN A 213
GLN A 101
 MES  A 301 (-3.6A)
MES  A 301 ( 4.2A)
MES  A 301 (-2.9A)
MES  A 301 (-3.3A)
 1.31A 6g31B-4pmnA:
undetectable		 6g31B-4pmnA:
15.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6G31_D_ZOLD401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 4pmn TAT-SECRETED PROTEIN
RV2525C
(Mycobacterium
tuberculosis) 		4 / 7 ASP A 227
ASP A  43
GLN A 213
GLN A 101
 MES  A 301 (-3.6A)
MES  A 301 ( 4.2A)
MES  A 301 (-2.9A)
MES  A 301 (-3.3A)
 1.35A 6g31D-4pmnA:
undetectable		 6g31D-4pmnA:
15.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6G31_J_ZOLJ401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 4pmn TAT-SECRETED PROTEIN
RV2525C
(Mycobacterium
tuberculosis) 		4 / 6 ASP A 227
ASP A  43
GLN A 213
GLN A 101
 MES  A 301 (-3.6A)
MES  A 301 ( 4.2A)
MES  A 301 (-2.9A)
MES  A 301 (-3.3A)
 1.28A 6g31J-4pmnA:
undetectable		 6g31J-4pmnA:
15.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GH9_A_MIXA1003_0
(UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 15)		 5x7s GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE
(Paenibacillus
sp.
598K) 		4 / 5 ASN A1213
GLY A1158
HIS A1181
ASP A1183
 MES  A1707 (-3.4A)
None
None
TB  A1608 (-2.4A)
 1.17A 6gh9A-5x7sA:
undetectable		 6gh9A-5x7sA:
6.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNG_B_QPSB601_1
(-)		 2o3b NUCLEASE
SUGAR-NON-SPECIFIC
NUCLEASE INHIBITOR
(Nostoc
sp.
PCC
7120) 		5 / 12 THR A  75
PRO A  99
VAL B 110
GLU A 163
GLY A 160
 None
None
MES  A 901 (-4.6A)
MG  A 303 ( 3.9A)
MES  A 901 (-3.4A)
 1.47A 6gngB-2o3bA:
undetectable		 6gngB-2o3bA:
18.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6H7M_B_68HB405_0
(BETA-1 ADRENERGIC
RECEPTOR)		 4yaq PG9_N100FY FAB HEAVY
CHAIN
(Homo
sapiens) 		5 / 12 VAL H 171
VAL H 191
SER H 189
ASN H 209
ASN H 162
 None
None
None
MES  H 301 (-3.2A)
None
 1.46A 6h7mB-4yaqH:
undetectable		 6h7mB-4yaqH:
16.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HIS_A_TKTA508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		 3m1u PUTATIVE
GAMMA-D-GLUTAMYL-L-D
IAMINO ACID
ENDOPEPTIDASE
(Desulfovibrio
vulgaris) 		4 / 8 ILE A 413
ARG A 423
ARG A 452
TYR A 322
 CL  A  23 (-3.9A)
MES  A  14 ( 4.0A)
CL  A  23 ( 3.1A)
GOL  A   8 ( 4.9A)
 1.25A 6hisA-3m1uA:
undetectable
6hisB-3m1uA:
undetectable		 6hisA-3m1uA:
11.14
6hisB-3m1uA:
11.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HIS_B_TKTB508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		 3m1u PUTATIVE
GAMMA-D-GLUTAMYL-L-D
IAMINO ACID
ENDOPEPTIDASE
(Desulfovibrio
vulgaris) 		4 / 8 ILE A 413
ARG A 423
ARG A 452
TYR A 322
 CL  A  23 (-3.9A)
MES  A  14 ( 4.0A)
CL  A  23 ( 3.1A)
GOL  A   8 ( 4.9A)
 1.24A 6hisB-3m1uA:
undetectable
6hisC-3m1uA:
undetectable		 6hisB-3m1uA:
11.14
6hisC-3m1uA:
11.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HIS_C_TKTC508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		 3m1u PUTATIVE
GAMMA-D-GLUTAMYL-L-D
IAMINO ACID
ENDOPEPTIDASE
(Desulfovibrio
vulgaris) 		4 / 8 ILE A 413
ARG A 423
ARG A 452
TYR A 322
 CL  A  23 (-3.9A)
MES  A  14 ( 4.0A)
CL  A  23 ( 3.1A)
GOL  A   8 ( 4.9A)
 1.24A 6hisC-3m1uA:
undetectable
6hisD-3m1uA:
undetectable		 6hisC-3m1uA:
11.14
6hisD-3m1uA:
11.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HIS_D_TKTD501_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		 3m1u PUTATIVE
GAMMA-D-GLUTAMYL-L-D
IAMINO ACID
ENDOPEPTIDASE
(Desulfovibrio
vulgaris) 		4 / 8 ILE A 413
ARG A 423
ARG A 452
TYR A 322
 CL  A  23 (-3.9A)
MES  A  14 ( 4.0A)
CL  A  23 ( 3.1A)
GOL  A   8 ( 4.9A)
 1.24A 6hisD-3m1uA:
undetectable
6hisE-3m1uA:
undetectable		 6hisD-3m1uA:
11.14
6hisE-3m1uA:
11.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HIS_E_TKTE501_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		 3m1u PUTATIVE
GAMMA-D-GLUTAMYL-L-D
IAMINO ACID
ENDOPEPTIDASE
(Desulfovibrio
vulgaris) 		4 / 8 TYR A 322
ILE A 413
ARG A 423
ARG A 452
 GOL  A   8 ( 4.9A)
CL  A  23 (-3.9A)
MES  A  14 ( 4.0A)
CL  A  23 ( 3.1A)
 1.24A 6hisA-3m1uA:
undetectable
6hisE-3m1uA:
undetectable		 6hisA-3m1uA:
11.14
6hisE-3m1uA:
11.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MDQ_A_TESA605_0
(SERUM ALBUMIN)		 3tt2 GCN5-RELATED
N-ACETYLTRANSFERASE
(Sphaerobacter
thermophilus) 		4 / 8 GLY A  86
LEU A  97
GLY A  98
LEU A 101
 MES  A 344 (-3.6A)
None
SO4  A 338 ( 3.3A)
MES  A 344 ( 4.7A)
 0.67A 6mdqA-3tt2A:
undetectable		 6mdqA-3tt2A:
10.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NKN_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5m6q UNCHARACTERIZED
PROTEIN
(Kutzneria
albida) 		4 / 6 HIS A 188
ASP A  21
TYR A  22
HIS A 205
 None
PG4  A 305 (-3.6A)
None
MES  A 303 (-4.0A)
 1.24A 6nknA-5m6qA:
undetectable
6nknC-5m6qA:
undetectable		 6nknA-5m6qA:
18.98
6nknC-5m6qA:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6PAH_A_DAHA600_1
(PHENYLALANINE
4-MONOOXYGENASE)		 4la2 DIMETHYLSULPHONIOPRO
PIONATE (DMSP) LYASE
DDDQ
(Ruegeria
lacuscaerulensis) 		4 / 6 PRO A 187
HIS A 125
HIS A 163
GLU A 129
 MES  A 202 (-4.2A)
ZN  A 201 ( 3.4A)
ZN  A 201 ( 3.3A)
ZN  A 201 ( 1.9A)
 1.01A 6pahA-4la2A:
undetectable		 6pahA-4la2A:
19.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
7DFR_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
ILE A 121
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.78A 7dfrA-2blbA:
20.3		 7dfrA-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
7DFR_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
vivax) 		7 / 12 ILE A  13
ALA A  15
PHE A  57
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.47A 7dfrA-2blbA:
20.3		 7dfrA-2blbA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
7DFR_A_FOLA161_1
(DIHYDROFOLATE
REDUCTASE)		 3tt2 GCN5-RELATED
N-ACETYLTRANSFERASE
(Sphaerobacter
thermophilus) 		3 / 3 ASP A 216
LEU A 219
ARG A 274
 MES  A 343 ( 3.8A)
None
None
 0.78A 7dfrA-3tt2A:
undetectable		 7dfrA-3tt2A:
19.88