SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3um6'

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.
1AM6_A_HAEA555_1
(CARBONIC ANHYDRASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 7 HIS A 323
LEU A 369
THR A 370
THR A 371
 None
 0.58A 1am6A-3um6A:
undetectable		 1am6A-3um6A:
17.76
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.
1AO8_A_MTXA170_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ASP A  54
PHE A  58
THR A 108
SER A 111
LEU A 119
ARG A 122
 1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
1CY  A 609 ( 4.4A)
None
None
 0.94A 1ao8A-3um6A:
18.8		 1ao8A-3um6A:
13.79
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.
1AO8_A_MTXA170_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ASP A  54
PHE A  58
THR A 108
SER A 111
THR A 185
 1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.3A)
 0.79A 1ao8A-3um6A:
18.8		 1ao8A-3um6A:
13.79
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.
1AXW_A_MTXA732_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ILE A 403
LEU A 487
ASP A 513
LEU A 516
GLY A 517
TYR A 553
 None
None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.97A 1axwA-3um6A:
35.9		 1axwA-3um6A:
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.
1AXW_A_MTXA732_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 LYS A 372
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-4.5A)
 0.68A 1axwA-3um6A:
35.9		 1axwA-3um6A:
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.
1AXW_A_MTXA732_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 LYS A 372
LEU A 487
ASP A 513
LEU A 516
GLY A 517
TYR A 553
 None
None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.75A 1axwA-3um6A:
35.9		 1axwA-3um6A:
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.
1AXW_B_MTXB733_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 11 LYS A 372
ILE A 403
ASP A 513
LEU A 516
GLY A 517
TYR A 553
 None
None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.67A 1axwB-3um6A:
36.3		 1axwB-3um6A:
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.
1B02_A_C2FA281_0
(PROTEIN (THYMIDYLATE
SYNTHASE))		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 11 ILE A 403
LEU A 487
ASP A 513
GLY A 517
TYR A 553
 None
None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 1.04A 1b02A-3um6A:
32.6		 1b02A-3um6A:
21.18
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.
1B02_A_C2FA281_0
(PROTEIN (THYMIDYLATE
SYNTHASE))		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 11 LEU A 487
ASP A 513
LEU A 516
GLY A 517
TYR A 553
 None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.75A 1b02A-3um6A:
32.6		 1b02A-3um6A:
21.18
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.
1CD2_A_FOLA307_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		9 / 12 ILE A  14
LEU A  46
PHE A  58
THR A 108
PHE A 116
LEU A 119
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
NDP  A 610 (-4.4A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.65A 1cd2A-3um6A:
21.3		 1cd2A-3um6A:
16.83
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.
1CD2_A_FOLA307_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 THR A 108
PRO A 113
PHE A 116
LEU A 119
ILE A 164
TYR A 170
THR A 185
 NDP  A 610 ( 3.4A)
None
None
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.62A 1cd2A-3um6A:
21.3		 1cd2A-3um6A:
16.83
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.
1D1G_A_MTXA171_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ASP A  54
ILE A 112
LEU A 119
ARG A 122
ILE A 164
THR A 185
 1CY  A 609 (-2.9A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 ( 4.0A)
1CY  A 609 (-4.3A)
 0.74A 1d1gA-3um6A:
17.6		 1d1gA-3um6A:
14.71
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.
1D1G_B_MTXB171_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ASP A  54
ILE A 112
LEU A 119
ARG A 122
ILE A 164
 1CY  A 609 (-2.9A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 ( 4.0A)
 0.80A 1d1gB-3um6A:
17.6		 1d1gB-3um6A:
14.71
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.
1D1G_B_MTXB171_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ASP A  54
LEU A 119
ARG A 122
ILE A 164
THR A 185
 1CY  A 609 (-2.9A)
None
None
1CY  A 609 ( 4.0A)
1CY  A 609 (-4.3A)
 0.41A 1d1gB-3um6A:
17.6		 1d1gB-3um6A:
14.71
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.
1DDR_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ASP A  54
THR A 108
ILE A 112
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 (-2.9A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
None
 0.85A 1ddrA-3um6A:
19.3		 1ddrA-3um6A:
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.
1DDR_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ASP A  54
THR A 108
SER A 111
ILE A 112
TYR A 170
 1CY  A 609 (-2.9A)
NDP  A 610 ( 3.4A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
None
 1.01A 1ddrA-3um6A:
19.3		 1ddrA-3um6A:
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.
1DDR_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ILE A  14
ASP A  54
THR A 108
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
NDP  A 610 ( 3.4A)
None
None
None
 0.58A 1ddrA-3um6A:
19.3		 1ddrA-3um6A:
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.
1DDR_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ILE A  14
ASP A  54
THR A 108
SER A 111
TYR A 170
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
NDP  A 610 ( 3.4A)
1CY  A 609 ( 4.4A)
None
 0.77A 1ddrA-3um6A:
19.3		 1ddrA-3um6A:
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.
1DDR_B_MTXB200_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ASP A  54
ILE A 112
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 (-2.9A)
1CY  A 609 (-4.4A)
None
None
None
 0.80A 1ddrB-3um6A:
19.5		 1ddrB-3um6A:
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.
1DDR_B_MTXB200_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
ASP A  54
PHE A  58
LEU A 119
ARG A 122
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
None
None
None
1CY  A 609 (-4.3A)
 0.42A 1ddrB-3um6A:
19.5		 1ddrB-3um6A:
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.
1DDS_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ASP A  54
THR A 108
ILE A 112
LEU A 119
ARG A 122
TYR A 170
THR A 185
 1CY  A 609 (-2.9A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.79A 1ddsA-3um6A:
19.5		 1ddsA-3um6A:
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.
1DDS_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
ASP A  54
THR A 108
LEU A 119
ARG A 122
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
NDP  A 610 ( 3.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.50A 1ddsA-3um6A:
19.5		 1ddsA-3um6A:
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.
1DDS_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ASP A  54
SER A 111
ILE A 112
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
None
None
None
 0.69A 1ddsB-3um6A:
19.7		 1ddsB-3um6A:
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.
1DDS_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
ASP A  54
SER A 111
LEU A 119
ARG A 122
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.47A 1ddsB-3um6A:
19.7		 1ddsB-3um6A:
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.
1DF7_A_MTXA501_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
ASP A  54
PRO A 113
LEU A 119
ARG A 122
ILE A 164
TYR A 170
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
None
None
None
1CY  A 609 ( 4.0A)
None
 0.60A 1df7A-3um6A:
19.7		 1df7A-3um6A:
15.66
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.
1DG5_A_TOPA201_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 11 ILE A  14
ASP A  54
PHE A  58
SER A 111
ILE A 164
TYR A 170
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
1CY  A 609 ( 4.4A)
1CY  A 609 ( 4.0A)
None
 0.66A 1dg5A-3um6A:
19.5		 1dg5A-3um6A:
15.66
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.
1DG5_A_TOPA201_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 11 ILE A  14
PHE A  58
SER A 111
PRO A 113
ILE A 164
TYR A 170
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
1CY  A 609 ( 4.4A)
None
1CY  A 609 ( 4.0A)
None
 0.64A 1dg5A-3um6A:
19.5		 1dg5A-3um6A:
15.66
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.
1DHF_A_FOLA187_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 12 ILE A  14
PHE A  58
THR A 108
ILE A 112
PRO A 113
LEU A 119
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.65A 1dhfA-3um6A:
22.3		 1dhfA-3um6A:
13.98
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 12 ILE A  14
PHE A  58
THR A 108
ILE A 112
LEU A 119
ARG A 122
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.52A 1dhfB-3um6A:
22.3		 1dhfB-3um6A:
13.98
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ILE A  14
LEU A 119
ARG A 122
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
None
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.46A 1dhiA-3um6A:
19.5		 1dhiA-3um6A:
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.
1DHI_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ILE A  14
SER A 111
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 ( 4.4A)
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.78A 1dhiA-3um6A:
19.5		 1dhiA-3um6A:
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.
1DHI_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ILE A 112
LEU A 119
ARG A 122
ILE A 164
TYR A 170
 1CY  A 609 (-4.4A)
None
None
1CY  A 609 ( 4.0A)
None
 0.80A 1dhiA-3um6A:
19.5		 1dhiA-3um6A:
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.
1DHI_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 11 ILE A  14
LEU A 119
ARG A 122
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
None
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.47A 1dhiB-3um6A:
20.0		 1dhiB-3um6A:
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.
1DHI_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 11 ILE A 112
LEU A 119
ARG A 122
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.4A)
None
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.80A 1dhiB-3um6A:
20.0		 1dhiB-3um6A:
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.
1DHJ_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ILE A  14
LEU A 119
ARG A 122
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
None
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.48A 1dhjA-3um6A:
19.6		 1dhjA-3um6A:
13.58
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.
1DHJ_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ILE A  14
SER A 111
ARG A 122
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 ( 4.4A)
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.75A 1dhjA-3um6A:
19.6		 1dhjA-3um6A:
13.58
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.
1DHJ_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ILE A 112
LEU A 119
ARG A 122
ILE A 164
TYR A 170
 1CY  A 609 (-4.4A)
None
None
1CY  A 609 ( 4.0A)
None
 0.81A 1dhjA-3um6A:
19.6		 1dhjA-3um6A:
13.58
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.
1DHJ_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ILE A  14
LEU A 119
ARG A 122
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
None
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.56A 1dhjB-3um6A:
19.9		 1dhjB-3um6A:
13.58
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.
1DHJ_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ILE A 112
LEU A 119
ARG A 122
ILE A 164
TYR A 170
 1CY  A 609 (-4.4A)
None
None
1CY  A 609 ( 4.0A)
None
 0.77A 1dhjB-3um6A:
19.9		 1dhjB-3um6A:
13.58
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.
1DLS_A_MTXA188_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
SER A 111
ILE A 112
PRO A 113
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 (-4.3A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
None
None
None
None
 0.56A 1dlsA-3um6A:
22.8		 1dlsA-3um6A:
13.82
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.
1DRA_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ILE A  14
LEU A 119
ARG A 122
ILE A 164
TYR A 170
 1CY  A 609 (-4.3A)
None
None
1CY  A 609 ( 4.0A)
None
 0.38A 1draA-3um6A:
19.6		 1draA-3um6A:
13.05
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.
1DRA_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ILE A 112
LEU A 119
ARG A 122
ILE A 164
TYR A 170
 1CY  A 609 (-4.4A)
None
None
1CY  A 609 ( 4.0A)
None
 0.80A 1draA-3um6A:
19.6		 1draA-3um6A:
13.05
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.
1DRA_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ILE A  14
LEU A 119
ARG A 122
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
None
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.46A 1draB-3um6A:
20.0		 1draB-3um6A:
13.05
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.
1DRA_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ILE A 112
LEU A 119
ARG A 122
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.4A)
None
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.79A 1draB-3um6A:
20.0		 1draB-3um6A:
13.05
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.
1DRB_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ILE A  14
LEU A 119
ARG A 122
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
None
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.48A 1drbA-3um6A:
19.6		 1drbA-3um6A:
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.
1DRB_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ILE A  14
SER A 111
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 ( 4.4A)
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.79A 1drbA-3um6A:
19.6		 1drbA-3um6A:
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.
1DRB_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ILE A 112
LEU A 119
ARG A 122
ILE A 164
TYR A 170
 1CY  A 609 (-4.4A)
None
None
1CY  A 609 ( 4.0A)
None
 0.81A 1drbA-3um6A:
19.6		 1drbA-3um6A:
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.
1DRB_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
PHE A  58
LEU A 119
ARG A 122
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
None
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.49A 1drbB-3um6A:
19.9		 1drbB-3um6A:
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.
1DRB_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ILE A 112
LEU A 119
ARG A 122
ILE A 164
TYR A 170
 1CY  A 609 (-4.4A)
None
None
1CY  A 609 ( 4.0A)
None
 0.76A 1drbB-3um6A:
19.9		 1drbB-3um6A:
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.
1DRE_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ASP A  54
PHE A  58
SER A 111
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
1CY  A 609 ( 4.4A)
None
None
None
 0.61A 1dreA-3um6A:
20.6		 1dreA-3um6A:
13.05
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.
1DRE_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 SER A 111
ILE A 112
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
None
None
None
 0.89A 1dreA-3um6A:
20.6		 1dreA-3um6A:
13.05
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.
1DRF_A_FOLA187_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
LEU A  46
PHE A  58
SER A 111
PRO A 113
LEU A 119
TYR A 170
 1CY  A 609 (-4.3A)
NDP  A 610 (-4.4A)
1CY  A 609 (-3.5A)
1CY  A 609 ( 4.4A)
None
None
None
 0.86A 1drfA-3um6A:
22.1		 1drfA-3um6A:
13.98
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
LEU A  46
SER A 111
ILE A 112
PRO A 113
LEU A 119
TYR A 170
 1CY  A 609 (-4.3A)
NDP  A 610 (-4.4A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
None
None
None
 0.87A 1drfA-3um6A:
22.1		 1drfA-3um6A:
13.98
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ASP A  54
THR A 108
ILE A 112
LEU A 119
TYR A 170
THR A 185
 1CY  A 609 (-2.9A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 (-4.3A)
 0.74A 1dyiA-3um6A:
19.6		 1dyiA-3um6A:
13.05
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.
1DYI_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
ASP A  54
PHE A  58
THR A 108
LEU A 119
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
None
1CY  A 609 (-4.3A)
 0.50A 1dyiA-3um6A:
19.6		 1dyiA-3um6A:
13.05
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.
1DYI_B_FOLB161_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 12 ILE A  14
ASP A  54
PHE A  58
THR A 108
ILE A 112
LEU A 119
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 (-4.3A)
 0.68A 1dyiB-3um6A:
19.8		 1dyiB-3um6A:
13.05
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.
1DYR_A_TOPA407_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 11 ILE A  14
LEU A  46
PHE A  58
ILE A 112
PRO A 113
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
NDP  A 610 (-4.4A)
1CY  A 609 (-3.5A)
1CY  A 609 (-4.4A)
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.78A 1dyrA-3um6A:
21.3		 1dyrA-3um6A:
16.83
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.
1FKF_A_FK5A108_1
(FK506 BINDING
PROTEIN)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 11 TYR A 569
VAL A 210
ILE A 224
TYR A 226
ILE A 200
 None
 1.24A 1fkfA-3um6A:
undetectable		 1fkfA-3um6A:
9.93
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.
1FKJ_A_FK5A108_1
(FK506 BINDING
PROTEIN)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 11 TYR A 569
VAL A 210
ILE A 224
TYR A 226
ILE A 200
 None
 1.23A 1fkjA-3um6A:
undetectable		 1fkjA-3um6A:
9.93
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.
1HVY_A_D16A414_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 GLU A 382
ASN A 407
ASP A 513
LEU A 516
GLY A 517
TYR A 553
 None
None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.81A 1hvyA-3um6A:
18.5		 1hvyA-3um6A:
28.65
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.
1HVY_A_D16A414_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 GLU A 382
ILE A 403
ASN A 407
ASP A 513
GLY A 517
TYR A 553
 None
None
None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.75A 1hvyA-3um6A:
18.5		 1hvyA-3um6A:
28.65
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.
1HVY_B_D16B415_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 GLU A 382
ILE A 403
ASN A 407
ASP A 513
GLY A 517
TYR A 553
 None
None
None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.80A 1hvyB-3um6A:
41.1		 1hvyB-3um6A:
28.65
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.
1HVY_C_D16C416_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 11 ASN A 407
ASP A 513
LEU A 516
GLY A 517
TYR A 553
 None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.66A 1hvyC-3um6A:
18.8		 1hvyC-3um6A:
28.65
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.
1HVY_C_D16C416_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 11 GLU A 382
ILE A 403
ASN A 407
ASP A 513
GLY A 517
TYR A 553
 None
None
None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.62A 1hvyC-3um6A:
18.8		 1hvyC-3um6A:
28.65
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.
1HVY_D_D16D417_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 GLU A 382
ILE A 403
ASN A 407
ASP A 513
LEU A 516
GLY A 517
TYR A 553
 None
None
None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.84A 1hvyD-3um6A:
41.2		 1hvyD-3um6A:
28.65
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.
1HVY_D_D16D417_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 GLU A 382
ILE A 403
ASN A 407
LEU A 487
GLY A 517
 None
None
None
None
UMP  A 611 (-3.3A)
 0.96A 1hvyD-3um6A:
41.2		 1hvyD-3um6A:
28.65
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.
1HVY_D_D16D417_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 GLU A 382
ILE A 403
TRP A 404
ASN A 407
LEU A 487
 None
 0.83A 1hvyD-3um6A:
41.2		 1hvyD-3um6A:
28.65
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.
1I00_A_D16A315_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 9 GLU A 382
ILE A 403
TRP A 404
ASP A 513
GLY A 517
TYR A 553
 None
None
None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.73A 1i00A-3um6A:
39.2		 1i00A-3um6A:
26.81
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.
1I00_B_D16B409_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 9 ASP A 513
LEU A 516
GLY A 517
ASN A 521
TYR A 553
 UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-2.8A)
UMP  A 611 (-4.5A)
 0.64A 1i00B-3um6A:
18.5		 1i00B-3um6A:
26.81
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.
1I00_B_D16B409_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 9 ILE A 403
ASP A 513
GLY A 517
ASN A 521
TYR A 553
 None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-2.8A)
UMP  A 611 (-4.5A)
 0.40A 1i00B-3um6A:
18.5		 1i00B-3um6A:
26.81
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)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 10 ILE A  14
ASP A  54
PHE A  58
SER A 111
ILE A 112
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.33A 1j3jA-3um6A:
36.6		 1j3jA-3um6A:
98.93
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)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 9 ASP A  54
PHE A  58
SER A 111
ILE A 112
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.39A 1j3jB-3um6A:
33.3		 1j3jB-3um6A:
98.93
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.
1JOL_A_FFOA161_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ILE A  14
ASP A  54
PHE A  58
LEU A 119
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
None
None
1CY  A 609 (-4.3A)
 0.47A 1jolA-3um6A:
19.5		 1jolA-3um6A:
13.05
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.
1JOL_B_FFOB361_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ILE A  14
ASP A  54
PHE A  58
LEU A 119
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
None
None
1CY  A 609 (-4.3A)
 0.50A 1jolB-3um6A:
19.9		 1jolB-3um6A:
13.05
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.
1JOM_A_FFOA161_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 11 ASP A  54
ILE A 112
LEU A 119
ARG A 122
TYR A 170
THR A 185
 1CY  A 609 (-2.9A)
1CY  A 609 (-4.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.84A 1jomA-3um6A:
19.4		 1jomA-3um6A:
13.05
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.
1JOM_A_FFOA161_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 11 ASP A  54
PHE A  58
LEU A 119
ARG A 122
TYR A 170
THR A 185
 1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
None
None
None
1CY  A 609 (-4.3A)
 0.44A 1jomA-3um6A:
19.4		 1jomA-3um6A:
13.05
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.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 11 ASN A 407
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-4.5A)
 0.87A 1ju6A-3um6A:
40.7		 1ju6A-3um6A:
28.12
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.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 11 ILE A 403
ASN A 407
ASP A 513
GLY A 517
TYR A 553
 None
None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 1.00A 1ju6A-3um6A:
40.7		 1ju6A-3um6A:
28.12
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.
1JU6_B_LYAB315_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 9 ILE A 403
ASN A 407
ASP A 513
GLY A 517
TYR A 553
 None
None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.99A 1ju6B-3um6A:
40.6		 1ju6B-3um6A:
28.12
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.
1JU6_B_LYAB315_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 9 LYS A 372
ASN A 407
ASP A 513
LEU A 516
GLY A 517
TYR A 553
 None
None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.72A 1ju6B-3um6A:
40.6		 1ju6B-3um6A:
28.12
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.
1JU6_C_LYAC315_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 10 ASN A 407
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-4.5A)
 0.88A 1ju6C-3um6A:
40.6		 1ju6C-3um6A:
28.12
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.
1JU6_C_LYAC315_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 10 ILE A 403
ASN A 407
ASP A 513
GLY A 517
TYR A 553
 None
None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 1.00A 1ju6C-3um6A:
40.6		 1ju6C-3um6A:
28.12
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.
1JU6_D_LYAD315_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 11 ILE A 403
ASN A 407
ASP A 513
GLY A 517
TYR A 553
 None
None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 1.00A 1ju6D-3um6A:
40.7		 1ju6D-3um6A:
28.12
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.
1JU6_D_LYAD315_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 11 LYS A 372
ASN A 407
ASP A 513
LEU A 516
GLY A 517
TYR A 553
 None
None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.72A 1ju6D-3um6A:
40.7		 1ju6D-3um6A:
28.12
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.
1JUJ_A_LYAA315_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 10 ILE A 403
ASN A 407
ASP A 513
GLY A 517
TYR A 553
 None
None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.96A 1jujA-3um6A:
40.3		 1jujA-3um6A:
28.12
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.
1JUJ_A_LYAA315_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 10 LYS A 372
ASN A 407
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 None
None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-4.5A)
 0.84A 1jujA-3um6A:
40.3		 1jujA-3um6A:
28.12
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.
1JUJ_B_LYAB315_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 10 ILE A 403
ASN A 407
ASP A 513
GLY A 517
TYR A 553
 None
None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.96A 1jujB-3um6A:
40.2		 1jujB-3um6A:
28.12
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.
1JUJ_B_LYAB315_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 10 LYS A 372
ASN A 407
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 None
None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-4.5A)
 0.84A 1jujB-3um6A:
40.2		 1jujB-3um6A:
28.12
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.
1JUJ_C_LYAC315_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 10 ILE A 403
ASN A 407
ASP A 513
GLY A 517
TYR A 553
 None
None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.96A 1jujC-3um6A:
40.2		 1jujC-3um6A:
28.12
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.
1JUJ_C_LYAC315_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 10 LYS A 372
ASN A 407
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 None
None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-4.5A)
 0.84A 1jujC-3um6A:
40.2		 1jujC-3um6A:
28.12
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.
1JUJ_D_LYAD315_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 10 ILE A 403
ASN A 407
ASP A 513
GLY A 517
TYR A 553
 None
None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.96A 1jujD-3um6A:
40.3		 1jujD-3um6A:
28.12
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.
1JUJ_D_LYAD315_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 10 LYS A 372
ASN A 407
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 None
None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-4.5A)
 0.84A 1jujD-3um6A:
40.3		 1jujD-3um6A:
28.12
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.
1L2I_B_CCSB417_0
(ESTROGEN RECEPTOR)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 6 PRO A 428
PHE A 432
GLU A 390
GLN A 433
 None
 1.49A 1l2iB-3um6A:
undetectable		 1l2iB-3um6A:
18.38
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.
1MRL_A_DOLA300_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 11 ILE A 331
PRO A 519
ASN A 554
VAL A 348
ASP A 344
 None
 1.49A 1mrlA-3um6A:
undetectable
1mrlB-3um6A:
undetectable		 1mrlA-3um6A:
16.47
1mrlB-3um6A:
16.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NW3_A_ACTA600_0
(HISTONE
METHYLTRANSFERASE
DOT1L)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 5 VAL A 597
TYR A 569
ARG A 186
THR A  36
 None
 1.04A 1nw3A-3um6A:
undetectable		 1nw3A-3um6A:
21.13
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.
1Q6I_A_FK5A301_1
(FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKPA)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 9 TYR A 569
VAL A 210
ILE A 224
TYR A 226
ILE A 200
 None
 1.26A 1q6iA-3um6A:
undetectable		 1q6iA-3um6A:
18.87
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.
1Q6I_B_FK5B401_1
(FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKPA)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 10 TYR A 569
VAL A 210
ILE A 224
TYR A 226
ILE A 200
 None
 1.25A 1q6iB-3um6A:
undetectable		 1q6iB-3um6A:
18.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1QZF_A_FOLA605_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 12 LEU A  46
ASP A  54
THR A 108
ILE A 112
LEU A 119
ARG A 122
TYR A 170
THR A 185
 NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.65A 1qzfA-3um6A:
40.6		 1qzfA-3um6A:
40.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1QZF_B_FOLB609_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 12 LEU A  46
ASP A  54
THR A 108
ILE A 112
LEU A 119
ARG A 122
TYR A 170
THR A 185
 NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.66A 1qzfB-3um6A:
40.6		 1qzfB-3um6A:
40.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1QZF_C_FOLC613_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 12 LEU A  46
ASP A  54
THR A 108
ILE A 112
LEU A 119
ARG A 122
TYR A 170
THR A 185
 NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.66A 1qzfC-3um6A:
40.6		 1qzfC-3um6A:
40.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1QZF_D_FOLD617_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 12 LEU A  46
ASP A  54
THR A 108
ILE A 112
LEU A 119
ARG A 122
TYR A 170
THR A 185
 NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.66A 1qzfD-3um6A:
40.6		 1qzfD-3um6A:
40.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1QZF_E_FOLE621_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 12 LEU A  46
ASP A  54
THR A 108
ILE A 112
LEU A 119
ARG A 122
TYR A 170
THR A 185
 NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.66A 1qzfE-3um6A:
40.6		 1qzfE-3um6A:
40.26
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.
1RA2_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ASP A  54
ILE A 112
LEU A 119
ILE A 164
THR A 185
 1CY  A 609 (-2.9A)
1CY  A 609 (-4.4A)
None
1CY  A 609 ( 4.0A)
1CY  A 609 (-4.3A)
 0.75A 1ra2A-3um6A:
19.8		 1ra2A-3um6A:
13.05
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.
1RA2_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
ASP A  54
PHE A  58
LEU A 119
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.39A 1ra2A-3um6A:
19.8		 1ra2A-3um6A:
13.05
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.
1RA3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ASP A  54
ILE A 112
LEU A 119
ARG A 122
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-2.9A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.79A 1ra3A-3um6A:
19.8		 1ra3A-3um6A:
13.05
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.
1RA3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
ASP A  54
LEU A 119
ARG A 122
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
None
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.33A 1ra3A-3um6A:
19.8		 1ra3A-3um6A:
13.05
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.
1RA8_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
PHE A  58
THR A 108
LEU A 119
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.37A 1ra8A-3um6A:
19.8		 1ra8A-3um6A:
13.05
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.
1RA8_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 THR A 108
ILE A 112
LEU A 119
ILE A 164
THR A 185
 NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
1CY  A 609 ( 4.0A)
1CY  A 609 (-4.3A)
 0.77A 1ra8A-3um6A:
19.8		 1ra8A-3um6A:
13.05
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.
1RB2_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ASP A  54
ILE A 112
LEU A 119
ILE A 164
THR A 185
 1CY  A 609 (-2.9A)
1CY  A 609 (-4.4A)
None
1CY  A 609 ( 4.0A)
1CY  A 609 (-4.3A)
 0.73A 1rb2A-3um6A:
20.0		 1rb2A-3um6A:
13.05
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.
1RB2_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
ASP A  54
PHE A  58
LEU A 119
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.39A 1rb2A-3um6A:
20.0		 1rb2A-3um6A:
13.05
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.
1RB2_B_FOLB161_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 12 ILE A  14
ASP A  54
PHE A  58
LEU A 119
ARG A 122
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
None
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.43A 1rb2B-3um6A:
19.9		 1rb2B-3um6A:
13.05
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.
1RB3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 10 ASP A  54
ILE A 112
ARG A 122
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-2.9A)
1CY  A 609 (-4.4A)
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.78A 1rb3A-3um6A:
20.0		 1rb3A-3um6A:
13.05
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.
1RB3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 10 ILE A  14
ASP A  54
ARG A 122
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.30A 1rb3A-3um6A:
20.0		 1rb3A-3um6A:
13.05
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.
1RB3_B_MTXB161_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ASP A  54
SER A 111
ILE A 112
LEU A 119
ARG A 122
 1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
None
None
 0.80A 1rb3B-3um6A:
20.0		 1rb3B-3um6A:
13.05
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.
1RB3_B_MTXB161_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 12 ILE A  14
ASP A  54
SER A 111
LEU A 119
ARG A 122
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
None
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.61A 1rb3B-3um6A:
20.0		 1rb3B-3um6A:
13.05
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.
1RD7_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
PHE A  58
THR A 108
LEU A 119
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.45A 1rd7A-3um6A:
19.5		 1rd7A-3um6A:
13.05
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.
1RD7_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 THR A 108
ILE A 112
LEU A 119
ILE A 164
THR A 185
 NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
1CY  A 609 ( 4.0A)
1CY  A 609 (-4.3A)
 0.81A 1rd7A-3um6A:
19.5		 1rd7A-3um6A:
13.05
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.
1RD7_B_FOLB361_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ASP A  54
THR A 108
ILE A 112
LEU A 119
ILE A 164
THR A 185
 1CY  A 609 (-2.9A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
1CY  A 609 ( 4.0A)
1CY  A 609 (-4.3A)
 0.75A 1rd7B-3um6A:
19.3		 1rd7B-3um6A:
13.05
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.
1RD7_B_FOLB361_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
ASP A  54
THR A 108
LEU A 119
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
NDP  A 610 ( 3.4A)
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.44A 1rd7B-3um6A:
19.3		 1rd7B-3um6A:
13.05
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.
1RE7_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 12 ILE A  14
ASP A  54
PHE A  58
THR A 108
ILE A 112
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.69A 1re7A-3um6A:
19.6		 1re7A-3um6A:
13.05
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.
1RE7_B_FOLB361_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
ASP A  54
PHE A  58
LEU A 119
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.48A 1re7B-3um6A:
19.5		 1re7B-3um6A:
13.05
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.
1RG7_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ASP A  54
THR A 108
ILE A 112
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 (-2.9A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
None
 0.77A 1rg7A-3um6A:
18.6		 1rg7A-3um6A:
13.05
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.
1RG7_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ASP A  54
THR A 108
SER A 111
ILE A 112
ARG A 122
TYR A 170
 1CY  A 609 (-2.9A)
NDP  A 610 ( 3.4A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
None
None
 0.92A 1rg7A-3um6A:
18.6		 1rg7A-3um6A:
13.05
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.
1RH3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
ASP A  54
PHE A  58
SER A 111
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
1CY  A 609 ( 4.4A)
None
None
None
 0.55A 1rh3A-3um6A:
20.6		 1rh3A-3um6A:
13.05
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.
1RH3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 SER A 111
ILE A 112
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
None
None
None
 0.86A 1rh3A-3um6A:
20.6		 1rh3A-3um6A:
13.05
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.
1RTS_A_D16A309_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 8 ASP A 513
LEU A 516
GLY A 517
TYR A 553
 UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.68A 1rtsA-3um6A:
40.6		 1rtsA-3um6A:
28.95
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.
1RTS_A_D16A309_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 8 ILE A 403
ASP A 513
GLY A 517
TYR A 553
 None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.56A 1rtsA-3um6A:
40.6		 1rtsA-3um6A:
28.95
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.
1RTS_B_D16B409_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 7 ARG A 402
ASP A 513
LEU A 516
GLY A 517
 None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
 0.70A 1rtsB-3um6A:
41.2		 1rtsB-3um6A:
28.95
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.
1RTS_B_D16B409_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 7 ASP A 513
LEU A 516
GLY A 517
TYR A 553
 UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.51A 1rtsB-3um6A:
41.2		 1rtsB-3um6A:
28.95
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.
1RTS_B_D16B409_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 7 ILE A 403
ASP A 513
GLY A 517
TYR A 553
 None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.43A 1rtsB-3um6A:
41.2		 1rtsB-3um6A:
28.95
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.
1RX2_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ILE A  14
PHE A  58
LEU A 119
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.40A 1rx2A-3um6A:
20.8		 1rx2A-3um6A:
13.05
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.
1RX3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ASP A  54
SER A 111
ILE A 112
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
None
None
None
 0.78A 1rx3A-3um6A:
20.9		 1rx3A-3um6A:
13.05
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.
1RX3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
ASP A  54
PHE A  58
SER A 111
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
1CY  A 609 ( 4.4A)
None
None
None
 0.51A 1rx3A-3um6A:
20.9		 1rx3A-3um6A:
13.05
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.
1RX7_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		9 / 12 ILE A  14
ASP A  54
PHE A  58
THR A 108
ILE A 112
LEU A 119
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.69A 1rx7A-3um6A:
19.1		 1rx7A-3um6A:
13.05
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.
1RX8_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ILE A  14
PHE A  58
LEU A 119
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
None
None
1CY  A 609 (-4.3A)
 0.49A 1rx8A-3um6A:
20.5		 1rx8A-3um6A:
13.05
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.
1TCO_C_FK5C509_2
(FK506-BINDING
PROTEIN)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 11 TYR A 569
VAL A 210
ILE A 224
TYR A 226
ILE A 200
 None
 1.37A 1tcoC-3um6A:
undetectable		 1tcoC-3um6A:
9.76
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.
1TDR_A_MTXA170_1
(TELLUROMETHIONYL
DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
ASP A  54
PHE A  58
THR A 108
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
None
None
 0.57A 1tdrA-3um6A:
19.5		 1tdrA-3um6A:
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.
1TDR_A_MTXA170_1
(TELLUROMETHIONYL
DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 THR A 108
ILE A 112
LEU A 119
ARG A 122
TYR A 170
 NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
None
 0.87A 1tdrA-3um6A:
19.5		 1tdrA-3um6A:
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.
1TDR_B_MTXB170_1
(TELLUROMETHIONYL
DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 10 ASP A  54
LEU A 119
ARG A 122
TYR A 170
THR A 185
 1CY  A 609 (-2.9A)
None
None
None
1CY  A 609 (-4.3A)
 0.43A 1tdrB-3um6A:
19.8		 1tdrB-3um6A:
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.
1U70_A_MTXA187_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ILE A  14
PRO A 113
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 (-4.3A)
None
None
None
None
 0.49A 1u70A-3um6A:
22.3		 1u70A-3um6A:
15.22
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.
1U72_A_MTXA188_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 LEU A  46
SER A 111
PRO A 113
LEU A 119
ARG A 122
TYR A 170
 NDP  A 610 (-4.4A)
1CY  A 609 ( 4.4A)
None
None
None
None
 0.59A 1u72A-3um6A:
22.5		 1u72A-3um6A:
13.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YAT_A_FK5A108_1
(FK506 BINDING
PROTEIN)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 11 TYR A 569
VAL A 210
ILE A 224
TYR A 226
ILE A 200
 None
 1.19A 1yatA-3um6A:
undetectable		 1yatA-3um6A:
10.59
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)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		10 / 12 ILE A  14
LEU A  46
ASP A  54
MET A  55
PHE A  58
SER A 111
ILE A 112
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
1CY  A 609 ( 3.7A)
1CY  A 609 (-3.5A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.44A 2bl9A-3um6A:
31.5		 2bl9A-3um6A:
30.31
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)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 11 ASP A  54
MET A  55
SER A 111
ILE A 112
THR A 185
 1CY  A 609 (-2.9A)
1CY  A 609 ( 3.7A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
1CY  A 609 (-4.3A)
 0.98A 2blaA-3um6A:
31.3		 2blaA-3um6A:
30.51
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)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 11 ILE A  14
ASP A  54
PHE A  58
SER A 111
ILE A 112
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.42A 2blaA-3um6A:
31.3		 2blaA-3um6A:
30.51
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.
2CD2_A_FOLA307_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		10 / 12 ILE A  14
LEU A  46
THR A 108
PRO A 113
PHE A 116
LEU A 119
ARG A 122
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
NDP  A 610 (-4.4A)
NDP  A 610 ( 3.4A)
None
None
None
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.69A 2cd2A-3um6A:
21.4		 2cd2A-3um6A:
16.83
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.
2D0K_A_FOLA1161_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 12 ILE A  14
PHE A  58
ILE A 112
LEU A 119
ARG A 122
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.49A 2d0kA-3um6A:
19.4		 2d0kA-3um6A:
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.
2D0K_B_FOLB2161_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 12 ILE A  14
PHE A  58
THR A 108
LEU A 119
ARG A 122
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.33A 2d0kB-3um6A:
19.5		 2d0kB-3um6A:
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.
2D0K_B_FOLB2161_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 12 ILE A  14
THR A 108
ILE A 112
LEU A 119
ARG A 122
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.58A 2d0kB-3um6A:
19.5		 2d0kB-3um6A:
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.
2DRC_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ASP A  54
ILE A 112
LEU A 119
ARG A 122
ILE A 164
TYR A 170
 1CY  A 609 (-2.9A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 ( 4.0A)
None
 0.80A 2drcA-3um6A:
19.6		 2drcA-3um6A:
13.05
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.
2DRC_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ILE A  14
ASP A  54
LEU A 119
ARG A 122
ILE A 164
TYR A 170
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
None
None
1CY  A 609 ( 4.0A)
None
 0.37A 2drcA-3um6A:
19.6		 2drcA-3um6A:
13.05
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.
2DRC_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ILE A  14
ASP A  54
SER A 111
ILE A 164
TYR A 170
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
1CY  A 609 ( 4.0A)
None
 0.67A 2drcA-3um6A:
19.6		 2drcA-3um6A:
13.05
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.
2DRC_B_MTXB161_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ASP A  54
ILE A 112
LEU A 119
ARG A 122
ILE A 164
TYR A 170
 1CY  A 609 (-2.9A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 ( 4.0A)
None
 0.75A 2drcB-3um6A:
19.9		 2drcB-3um6A:
13.05
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.
2DRC_B_MTXB161_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
ASP A  54
LEU A 119
ARG A 122
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
None
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.42A 2drcB-3um6A:
19.9		 2drcB-3um6A:
13.05
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.
2DTT_C_H4BC1002_1
(HYPOTHETICAL PROTEIN
PH0634)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 6 TYR A  57
ASP A  54
PHE A  58
THR A  62
 None
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
None
 1.28A 2dttB-3um6A:
undetectable
2dttC-3um6A:
undetectable		 2dttB-3um6A:
10.82
2dttC-3um6A:
10.82
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.
2FKE_A_FK5A108_1
(FK506 BINDING
PROTEIN)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 11 TYR A 569
VAL A 210
ILE A 224
TYR A 226
ILE A 200
 None
 1.24A 2fkeA-3um6A:
undetectable		 2fkeA-3um6A:
9.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2OIP_A_MTXA605_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 12 LEU A  46
ASP A  54
PHE A  58
THR A 108
ILE A 112
LEU A 119
ARG A 122
TYR A 170
 NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
None
 0.78A 2oipA-3um6A:
40.6		 2oipA-3um6A:
40.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2OIP_A_MTXA605_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 VAL A 213
LEU A 362
PHE A 571
ILE A 522
LEU A 369
 None
 1.08A 2oipA-3um6A:
40.6		 2oipA-3um6A:
40.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2OIP_B_MTXB609_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 12 LEU A  46
ASP A  54
PHE A  58
THR A 108
LEU A 119
ARG A 122
TYR A 170
THR A 185
 NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.50A 2oipB-3um6A:
18.8		 2oipB-3um6A:
40.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2OIP_C_MTXC613_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 12 LEU A  46
ASP A  54
PHE A  58
THR A 108
LEU A 119
ARG A 122
TYR A 170
THR A 185
 NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.55A 2oipC-3um6A:
41.6		 2oipC-3um6A:
40.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2OIP_D_MTXD617_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ASP A  54
PHE A  58
THR A 108
ILE A 112
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
None
 0.90A 2oipD-3um6A:
41.5		 2oipD-3um6A:
40.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2OIP_D_MTXD617_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 LEU A  46
ASP A  54
PHE A  58
THR A 108
LEU A 119
ARG A 122
TYR A 170
 NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
None
None
 0.58A 2oipD-3um6A:
41.5		 2oipD-3um6A:
40.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2OIP_E_MTXE621_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 12 LEU A  46
ASP A  54
PHE A  58
THR A 108
ILE A 112
LEU A 119
ARG A 122
TYR A 170
 NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
None
 0.87A 2oipE-3um6A:
40.7		 2oipE-3um6A:
40.39
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.
2TSR_A_D16A309_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 7 ASP A 513
LEU A 516
GLY A 517
TYR A 553
 UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.60A 2tsrA-3um6A:
40.7		 2tsrA-3um6A:
28.95
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.
2TSR_A_D16A309_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 7 ILE A 403
ASP A 513
GLY A 517
TYR A 553
 None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.44A 2tsrA-3um6A:
40.7		 2tsrA-3um6A:
28.95
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.
2TSR_C_D16C509_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 10 GLU A 382
ASP A 513
LEU A 516
GLY A 517
TYR A 553
 None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.73A 2tsrC-3um6A:
40.3		 2tsrC-3um6A:
28.95
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.
2TSR_C_D16C509_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 10 GLU A 382
ILE A 403
ASP A 513
GLY A 517
TYR A 553
 None
None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.68A 2tsrC-3um6A:
40.3		 2tsrC-3um6A:
28.95
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.
2W3A_A_TOPA1190_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 11 ILE A  14
PHE A  58
THR A 108
ILE A 112
PRO A 113
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 (-4.3A)
 0.52A 2w3aA-3um6A:
22.5		 2w3aA-3um6A:
14.14
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.
2W3A_B_TOPB1189_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 10 ILE A  14
PHE A  58
THR A 108
ILE A 112
LEU A 119
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 (-4.3A)
 0.40A 2w3aB-3um6A:
22.4		 2w3aB-3um6A:
14.14
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.
2W3B_A_FOLA401_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 12 ILE A  14
LEU A  46
PHE A  58
THR A 108
PRO A 113
LEU A 119
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
NDP  A 610 (-4.4A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.59A 2w3bA-3um6A:
22.3		 2w3bA-3um6A:
14.14
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.
2W3B_A_FOLA401_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 12 ILE A  14
LEU A  46
THR A 108
ILE A 112
PRO A 113
LEU A 119
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
NDP  A 610 (-4.4A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.62A 2w3bA-3um6A:
22.3		 2w3bA-3um6A:
14.14
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.
2W3B_B_FOLB401_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 12 ILE A  14
LEU A  46
PHE A  58
ILE A 112
PRO A 113
LEU A 119
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
NDP  A 610 (-4.4A)
1CY  A 609 (-3.5A)
1CY  A 609 (-4.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.64A 2w3bB-3um6A:
22.4		 2w3bB-3um6A:
14.14
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.
2W3M_A_FOLA1188_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 12 ILE A  14
LEU A  46
PHE A  58
ILE A 112
PRO A 113
LEU A 119
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
NDP  A 610 (-4.4A)
1CY  A 609 (-3.5A)
1CY  A 609 (-4.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.58A 2w3mA-3um6A:
22.3		 2w3mA-3um6A:
14.14
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.
2W3M_B_FOLB1188_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
LEU A  46
PHE A  58
LEU A 119
ARG A 122
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
NDP  A 610 (-4.4A)
1CY  A 609 (-3.5A)
None
None
None
1CY  A 609 (-4.3A)
 0.38A 2w3mB-3um6A:
22.4		 2w3mB-3um6A:
14.14
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.
2W3V_A_TOPA1169_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ASP A  54
PHE A  58
SER A 111
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
1CY  A 609 ( 4.4A)
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.63A 2w3vA-3um6A:
20.3		 2w3vA-3um6A:
13.99
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.
2W9S_A_TOPA1160_1
(DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 11 ILE A  14
LEU A  46
ASP A  54
SER A 111
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
None
1CY  A 609 (-4.3A)
 0.63A 2w9sA-3um6A:
20.7		 2w9sA-3um6A:
12.48
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.
2W9S_B_TOPB1160_1
(DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 11 ILE A  14
LEU A  46
ASP A  54
SER A 111
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
None
1CY  A 609 (-4.3A)
 0.62A 2w9sB-3um6A:
20.7		 2w9sB-3um6A:
12.48
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.
2W9S_C_TOPC1160_1
(DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 10 ILE A  14
LEU A  46
ASP A  54
SER A 111
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
None
1CY  A 609 (-4.3A)
 0.62A 2w9sC-3um6A:
20.6		 2w9sC-3um6A:
12.48
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.
2W9S_D_TOPD1158_1
(DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 10 ILE A  14
LEU A  46
ASP A  54
SER A 111
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
None
1CY  A 609 (-4.3A)
 0.53A 2w9sD-3um6A:
20.2		 2w9sD-3um6A:
12.48
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.
2W9S_E_TOPE1160_1
(DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 8 ILE A  14
LEU A  46
ASP A  54
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
None
1CY  A 609 (-4.3A)
 0.52A 2w9sE-3um6A:
20.2		 2w9sE-3um6A:
12.48
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.
2W9S_F_TOPF1159_1
(DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 10 ILE A  14
LEU A  46
ASP A  54
SER A 111
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
None
1CY  A 609 (-4.3A)
 0.52A 2w9sF-3um6A:
20.2		 2w9sF-3um6A:
12.48
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.
2ZM8_A_ACAA511_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 8 ALA A 486
ILE A 429
TYR A 430
HIS A 491
 None
None
None
UMP  A 611 (-3.6A)
 0.94A 2zm8A-3um6A:
undetectable		 2zm8A-3um6A:
16.91
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.
2ZMA_A_ACAA501_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 8 ALA A 486
ILE A 429
TYR A 430
HIS A 491
 None
None
None
UMP  A 611 (-3.6A)
 0.95A 2zmaA-3um6A:
undetectable		 2zmaA-3um6A:
17.34
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.
2ZZA_A_FOLA164_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ILE A  14
LEU A 119
ARG A 122
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
None
None
None
1CY  A 609 (-4.3A)
 0.42A 2zzaA-3um6A:
20.3		 2zzaA-3um6A:
13.40
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.
2ZZA_B_FOLB164_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 11 ILE A  14
LEU A 119
ARG A 122
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
None
None
None
1CY  A 609 (-4.3A)
 0.36A 2zzaB-3um6A:
20.2		 2zzaB-3um6A:
13.40
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.
3CD2_A_MTXA307_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 12 ILE A  14
LEU A  46
PRO A 113
PHE A 116
LEU A 119
ARG A 122
ILE A 164
TYR A 170
 1CY  A 609 (-4.3A)
NDP  A 610 (-4.4A)
None
None
None
None
1CY  A 609 ( 4.0A)
None
 0.50A 3cd2A-3um6A:
21.3		 3cd2A-3um6A:
16.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CL9_A_MTXA602_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE (DHFR-TS))		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ASP A  54
MET A  55
THR A 108
PHE A 116
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 (-2.9A)
1CY  A 609 ( 3.7A)
NDP  A 610 ( 3.4A)
None
None
None
None
 1.03A 3cl9A-3um6A:
18.2		 3cl9A-3um6A:
37.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CL9_A_MTXA602_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE (DHFR-TS))		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ASP A  54
MET A  55
THR A 108
SER A 111
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 (-2.9A)
1CY  A 609 ( 3.7A)
NDP  A 610 ( 3.4A)
1CY  A 609 ( 4.4A)
None
None
None
 0.80A 3cl9A-3um6A:
18.2		 3cl9A-3um6A:
37.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CL9_A_MTXA602_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE (DHFR-TS))		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ASP A  54
THR A 108
SER A 111
PRO A 113
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 (-2.9A)
NDP  A 610 ( 3.4A)
1CY  A 609 ( 4.4A)
None
None
None
None
 0.75A 3cl9A-3um6A:
18.2		 3cl9A-3um6A:
37.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CLB_A_TMQA611_1
(DHFR-TS)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 11 ASP A  54
MET A  55
ILE A 112
PRO A 113
LEU A 119
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-2.9A)
1CY  A 609 ( 3.7A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.71A 3clbA-3um6A:
19.2		 3clbA-3um6A:
37.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CLB_B_TMQB612_1
(DHFR-TS)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		10 / 12 ASP A  54
MET A  55
PHE A  58
THR A 108
SER A 111
ILE A 112
PRO A 113
PHE A 116
ILE A 164
TYR A 170
 1CY  A 609 (-2.9A)
1CY  A 609 ( 3.7A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 ( 4.0A)
None
 0.75A 3clbB-3um6A:
22.4		 3clbB-3um6A:
37.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CLB_C_TMQC613_1
(DHFR-TS)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		9 / 12 ASP A  54
MET A  55
THR A 108
ILE A 112
PRO A 113
LEU A 119
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-2.9A)
1CY  A 609 ( 3.7A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.69A 3clbC-3um6A:
17.1		 3clbC-3um6A:
37.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CLB_D_TMQD614_1
(DHFR-TS)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 10 ASP A  54
MET A  55
ILE A 112
PRO A 113
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-2.9A)
1CY  A 609 ( 3.7A)
1CY  A 609 (-4.4A)
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.68A 3clbD-3um6A:
18.4		 3clbD-3um6A:
37.99
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.
3DAU_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ASP A  54
ILE A 112
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 (-2.9A)
1CY  A 609 (-4.4A)
None
None
None
 0.83A 3dauA-3um6A:
20.8		 3dauA-3um6A:
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.
3DAU_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ILE A  14
ASP A  54
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
None
None
None
 0.32A 3dauA-3um6A:
20.8		 3dauA-3um6A:
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.
3DFR_A_MTXA164_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 LEU A  46
ASP A  54
SER A 111
LEU A 119
ARG A 122
THR A 185
 NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
None
None
1CY  A 609 (-4.3A)
 0.66A 3dfrA-3um6A:
20.8		 3dfrA-3um6A:
13.93
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.
3DFR_A_MTXA164_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 LEU A  46
ASP A  54
SER A 111
PRO A 113
THR A 185
 NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
None
1CY  A 609 (-4.3A)
 0.63A 3dfrA-3um6A:
20.8		 3dfrA-3um6A:
13.93
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.
3DRC_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ASP A  54
ILE A 112
LEU A 119
ARG A 122
ILE A 164
TYR A 170
 1CY  A 609 (-2.9A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 ( 4.0A)
None
 0.80A 3drcA-3um6A:
19.6		 3drcA-3um6A:
13.05
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.
3DRC_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ILE A  14
ASP A  54
LEU A 119
ARG A 122
ILE A 164
TYR A 170
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
None
None
1CY  A 609 ( 4.0A)
None
 0.39A 3drcA-3um6A:
19.6		 3drcA-3um6A:
13.05
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.
3DRC_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ILE A  14
ASP A  54
SER A 111
ILE A 164
TYR A 170
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
1CY  A 609 ( 4.0A)
None
 0.67A 3drcA-3um6A:
19.6		 3drcA-3um6A:
13.05
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.
3DRC_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
ASP A  54
LEU A 119
ARG A 122
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
None
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.42A 3drcB-3um6A:
20.0		 3drcB-3um6A:
13.05
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.
3DRC_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ILE A 112
LEU A 119
ARG A 122
ILE A 164
TYR A 170
 1CY  A 609 (-4.4A)
None
None
1CY  A 609 ( 4.0A)
None
 0.72A 3drcB-3um6A:
20.0		 3drcB-3um6A:
13.05
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.
3EIG_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
LEU A  46
SER A 111
PRO A 113
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 (-4.3A)
NDP  A 610 (-4.4A)
1CY  A 609 ( 4.4A)
None
None
None
None
 0.66A 3eigA-3um6A:
21.9		 3eigA-3um6A:
13.98
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 11 LEU A  46
ASP A  54
SER A 111
TYR A 170
THR A 185
 NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
None
1CY  A 609 (-4.3A)
 0.70A 3frbX-3um6A:
20.3		 3frbX-3um6A:
14.00
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.
3FW3_B_ETSB303_1
(CARBONIC ANHYDRASE 4)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 HIS A 323
ILE A 522
LEU A 369
THR A 370
THR A 371
 None
 1.01A 3fw3B-3um6A:
undetectable		 3fw3B-3um6A:
19.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HBB_A_TMQA611_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 10 ASP A  54
MET A  55
ILE A 112
PRO A 113
LEU A 119
ILE A 164
TYR A 170
 1CY  A 609 (-2.9A)
1CY  A 609 ( 3.7A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 ( 4.0A)
None
 0.69A 3hbbA-3um6A:
19.3		 3hbbA-3um6A:
37.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HBB_B_TMQB612_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 9 ASP A  54
THR A 108
SER A 111
PHE A 116
ILE A 164
TYR A 170
 1CY  A 609 (-2.9A)
NDP  A 610 ( 3.4A)
1CY  A 609 ( 4.4A)
None
1CY  A 609 ( 4.0A)
None
 0.94A 3hbbB-3um6A:
18.7		 3hbbB-3um6A:
37.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HBB_C_TMQC613_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 11 ASP A  54
MET A  55
ILE A 112
PRO A 113
LEU A 119
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-2.9A)
1CY  A 609 ( 3.7A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.71A 3hbbC-3um6A:
17.1		 3hbbC-3um6A:
37.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HBB_D_TMQD614_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 10 ASP A  54
MET A  55
ILE A 112
PRO A 113
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-2.9A)
1CY  A 609 ( 3.7A)
1CY  A 609 (-4.4A)
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.64A 3hbbD-3um6A:
17.8		 3hbbD-3um6A:
37.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HJ3_A_MTXA605_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ASP A  54
PHE A  58
THR A 108
ILE A 112
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
None
 0.94A 3hj3A-3um6A:
41.4		 3hj3A-3um6A:
40.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HJ3_A_MTXA605_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 12 LEU A  46
ASP A  54
PHE A  58
THR A 108
LEU A 119
ARG A 122
TYR A 170
THR A 185
 NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.53A 3hj3A-3um6A:
41.4		 3hj3A-3um6A:
40.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HJ3_B_MTXB609_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 12 LEU A  46
ASP A  54
PHE A  58
THR A 108
ILE A 112
LEU A 119
ARG A 122
TYR A 170
 NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
None
 0.85A 3hj3B-3um6A:
41.5		 3hj3B-3um6A:
40.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HJ3_C_MTXC613_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 12 LEU A  46
ASP A  54
PHE A  58
THR A 108
LEU A 119
ARG A 122
TYR A 170
THR A 185
 NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.60A 3hj3C-3um6A:
18.8		 3hj3C-3um6A:
40.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HJ3_D_MTXD615_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 12 LEU A  46
ASP A  54
PHE A  58
THR A 108
ILE A 112
LEU A 119
ARG A 122
TYR A 170
 NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
None
 0.85A 3hj3D-3um6A:
39.3		 3hj3D-3um6A:
40.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HJ3_D_MTXD615_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 VAL A 213
LEU A 362
PHE A 571
ILE A 522
LEU A 369
 None
 1.09A 3hj3D-3um6A:
39.3		 3hj3D-3um6A:
40.26
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.
3IA4_A_MTXA164_2
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 4 ILE A  14
PHE A  58
ILE A 164
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
1CY  A 609 ( 4.0A)
1CY  A 609 (-4.3A)
 0.34A 3ia4A-3um6A:
20.3		 3ia4A-3um6A:
13.31
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_B_MTXB164_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ILE A  14
SER A 111
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 (-4.3A)
1CY  A 609 ( 4.4A)
None
None
None
 0.68A 3ia4B-3um6A:
20.3		 3ia4B-3um6A:
13.31
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_C_MTXC164_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 PHE A  58
SER A 111
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 (-3.5A)
1CY  A 609 ( 4.4A)
None
None
None
 0.69A 3ia4C-3um6A:
20.3		 3ia4C-3um6A:
13.31
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_D_MTXD164_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ILE A  14
PHE A  58
SER A 111
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
1CY  A 609 ( 4.4A)
None
None
None
 0.64A 3ia4D-3um6A:
20.3		 3ia4D-3um6A:
13.31
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.
3IHZ_A_FK5A501_1
(70 KDA
PEPTIDYLPROLYL
ISOMERASE, PUTATIVE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 10 TYR A 569
VAL A 210
ILE A 224
TYR A 226
ILE A 200
 None
 1.25A 3ihzA-3um6A:
undetectable		 3ihzA-3um6A:
10.98
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ILE A  14
LEU A  46
LEU A 119
ARG A 122
THR A 185
 1CY  A 609 (-4.3A)
NDP  A 610 (-4.4A)
None
None
1CY  A 609 (-4.3A)
 0.75A 3ix9A-3um6A:
20.9		 3ix9A-3um6A:
14.05
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.
3IX9_B_MTXB200_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ILE A  14
LEU A  46
LEU A 119
ARG A 122
THR A 185
 1CY  A 609 (-4.3A)
NDP  A 610 (-4.4A)
None
None
1CY  A 609 (-4.3A)
 0.70A 3ix9B-3um6A:
20.8		 3ix9B-3um6A:
14.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-4.5A)
 0.37A 3k2hA-3um6A:
42.5		 3k2hA-3um6A:
44.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3K2H_A_LYAA514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ASP A  54
THR A 108
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 (-2.9A)
NDP  A 610 ( 3.4A)
None
None
None
 0.55A 3k2hA-3um6A:
42.5		 3k2hA-3um6A:
44.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3K2H_A_LYAA514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 THR A 108
ILE A 112
LEU A 119
ARG A 122
TYR A 170
 NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
None
 0.69A 3k2hA-3um6A:
42.5		 3k2hA-3um6A:
44.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3K2H_B_LYAB513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-4.5A)
 0.37A 3k2hB-3um6A:
41.7		 3k2hB-3um6A:
44.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3K2H_B_LYAB514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 SER A 111
ILE A 112
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
None
None
None
 0.64A 3k2hB-3um6A:
41.8		 3k2hB-3um6A:
44.73
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.
3KZ7_A_RAPA225_1
(FK506-BINDING
PROTEIN 3)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 10 TYR A 569
VAL A 210
ILE A 224
TYR A 226
ILE A 200
 None
 1.24A 3kz7A-3um6A:
undetectable		 3kz7A-3um6A:
12.19
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.
3N0H_A_TOPA187_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 11 ILE A  14
PHE A  58
THR A 108
ILE A 112
LEU A 119
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 (-4.3A)
 0.57A 3n0hA-3um6A:
22.5		 3n0hA-3um6A:
14.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NRR_A_D16A520_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ASP A  54
THR A 108
ILE A 112
PRO A 113
THR A 185
 1CY  A 609 (-2.9A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
1CY  A 609 (-4.3A)
 0.63A 3nrrA-3um6A:
42.2		 3nrrA-3um6A:
44.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NRR_A_D16A530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ASN A 407
ASP A 513
GLY A 517
PHE A 520
TYR A 553
 None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
None
UMP  A 611 (-4.5A)
 0.78A 3nrrA-3um6A:
42.2		 3nrrA-3um6A:
44.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NRR_A_D16A530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-4.5A)
 0.42A 3nrrA-3um6A:
42.2		 3nrrA-3um6A:
44.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NRR_A_D16A530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 GLU A 382
ILE A 403
ASN A 407
ASP A 513
GLY A 517
TYR A 553
 None
None
None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.93A 3nrrA-3um6A:
42.2		 3nrrA-3um6A:
44.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NRR_B_D16B520_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ASP A  54
THR A 108
ILE A 112
PRO A 113
THR A 185
 1CY  A 609 (-2.9A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
1CY  A 609 (-4.3A)
 0.64A 3nrrB-3um6A:
42.2		 3nrrB-3um6A:
44.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NRR_B_D16B530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ASN A 407
ASP A 513
GLY A 517
PHE A 520
TYR A 553
 None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
None
UMP  A 611 (-4.5A)
 0.74A 3nrrB-3um6A:
42.2		 3nrrB-3um6A:
44.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NRR_B_D16B530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-4.5A)
 0.44A 3nrrB-3um6A:
42.2		 3nrrB-3um6A:
44.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NRR_B_D16B530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 GLU A 382
ILE A 403
ASN A 407
ASP A 513
GLY A 517
TYR A 553
 None
None
None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.92A 3nrrB-3um6A:
42.2		 3nrrB-3um6A:
44.35
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.
3O5R_A_FK5A1001_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 11 TYR A 569
VAL A 210
ILE A 224
TYR A 226
ILE A 200
 None
 1.28A 3o5rA-3um6A:
undetectable		 3o5rA-3um6A:
13.54
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.
3QFX_A_CP6A602_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ASP A  54
PHE A  58
THR A 108
SER A 111
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
1CY  A 609 ( 4.4A)
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.40A 3qfxA-3um6A:
21.1		 3qfxA-3um6A:
19.39
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.
3QFX_B_CP6B702_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ASP A  54
PHE A  58
THR A 108
SER A 111
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
1CY  A 609 ( 4.4A)
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.40A 3qfxB-3um6A:
21.2		 3qfxB-3um6A:
19.39
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)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 10 ASP A  54
MET A  55
SER A 111
ILE A 112
THR A 185
 1CY  A 609 (-2.9A)
1CY  A 609 ( 3.7A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
1CY  A 609 (-4.3A)
 0.92A 3qg2A-3um6A:
53.3		 3qg2A-3um6A:
99.18
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)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 10 ILE A  14
ASP A  54
PHE A  58
SER A 111
ILE A 112
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
None
1CY  A 609 (-4.3A)
 0.36A 3qg2A-3um6A:
53.3		 3qg2A-3um6A:
99.18
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)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 11 ILE A  14
ASP A  54
MET A  55
PHE A  58
SER A 111
ILE A 112
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 ( 3.7A)
1CY  A 609 (-3.5A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
None
1CY  A 609 (-4.3A)
 0.40A 3qg2B-3um6A:
51.6		 3qg2B-3um6A:
99.18
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)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 10 ILE A  14
ASP A  54
PHE A  58
SER A 111
ILE A 112
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.35A 3qgtA-3um6A:
52.0		 3qgtA-3um6A:
99.67
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)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 10 ILE A  14
ASP A  54
PHE A  58
SER A 111
ILE A 112
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.42A 3qgtB-3um6A:
51.3		 3qgtB-3um6A:
99.67
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.
3QL0_A_FOLA160_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ILE A  14
PHE A  58
LEU A 119
ARG A 122
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
None
None
None
1CY  A 609 (-4.3A)
 0.40A 3ql0A-3um6A:
21.1		 3ql0A-3um6A:
13.05
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.
3QL3_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ASP A  54
ILE A 112
ARG A 122
ILE A 164
THR A 185
 1CY  A 609 (-2.9A)
1CY  A 609 (-4.4A)
None
1CY  A 609 ( 4.0A)
1CY  A 609 (-4.3A)
 0.74A 3ql3A-3um6A:
21.0		 3ql3A-3um6A:
13.05
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.
3QL3_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ILE A  14
ASP A  54
ARG A 122
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.35A 3ql3A-3um6A:
21.0		 3ql3A-3um6A:
13.05
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.
3S3V_A_TOPA187_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
PHE A  58
THR A 108
ILE A 112
LEU A 119
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 (-4.3A)
 0.56A 3s3vA-3um6A:
22.5		 3s3vA-3um6A:
14.14
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.
3S3V_A_TOPA193_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 5 LEU A  46
ILE A 112
PRO A 113
PHE A 116
 NDP  A 610 (-4.4A)
1CY  A 609 (-4.4A)
None
None
 0.67A 3s3vA-3um6A:
22.5		 3s3vA-3um6A:
14.14
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.
3TQ8_A_TOPA2001_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 9 ILE A  14
LEU A  46
ASP A  54
PHE A  58
SER A 111
ILE A 164
THR A 185
 1CY  A 609 (-4.3A)
NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
1CY  A 609 ( 4.4A)
1CY  A 609 ( 4.0A)
1CY  A 609 (-4.3A)
 0.58A 3tq8A-3um6A:
20.8		 3tq8A-3um6A:
15.00
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.
3TQ9_A_MTXA2001_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ASP A  54
SER A 111
ILE A 112
LEU A 119
ARG A 122
ILE A 164
THR A 185
 1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 ( 4.0A)
1CY  A 609 (-4.3A)
 0.85A 3tq9A-3um6A:
20.2		 3tq9A-3um6A:
15.00
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.
3TQ9_A_MTXA2001_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 12 ILE A  14
LEU A  46
ASP A  54
SER A 111
LEU A 119
ARG A 122
ILE A 164
THR A 185
 1CY  A 609 (-4.3A)
NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
None
None
1CY  A 609 ( 4.0A)
1CY  A 609 (-4.3A)
 0.66A 3tq9A-3um6A:
20.2		 3tq9A-3um6A:
15.00
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.
3TQB_A_FOLA2001_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 11 ASP A  54
THR A 108
ILE A 112
LEU A 119
ARG A 122
ILE A 164
THR A 185
 1CY  A 609 (-2.9A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 ( 4.0A)
1CY  A 609 (-4.3A)
 0.68A 3tqbA-3um6A:
19.8		 3tqbA-3um6A:
15.00
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.
3TQB_A_FOLA2001_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 11 LEU A  46
ASP A  54
THR A 108
LEU A 119
ARG A 122
ILE A 164
THR A 185
 NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
NDP  A 610 ( 3.4A)
None
None
1CY  A 609 ( 4.0A)
1CY  A 609 (-4.3A)
 0.55A 3tqbA-3um6A:
19.8		 3tqbA-3um6A:
15.00
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.
3UF8_A_FK5A114_1
(UBIQUITIN-LIKE
PROTEIN SMT3,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 10 TYR A 569
VAL A 210
ILE A 224
TYR A 226
ILE A 200
 None
 1.28A 3uf8A-3um6A:
undetectable		 3uf8A-3um6A:
13.98
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)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		10 / 10 ILE A  14
VAL A  16
ASP A  54
PHE A  58
THR A 108
SER A 111
ILE A 112
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
NDP  A 610 ( 4.0A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.26A 3um5A-3um6A:
54.1		 3um5A-3um6A:
100.00
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)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		10 / 10 ILE A  14
VAL A  16
ASP A  54
PHE A  58
THR A 108
SER A 111
ILE A 112
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
NDP  A 610 ( 4.0A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.28A 3um5B-3um6A:
51.3		 3um5B-3um6A:
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.
3UQA_A_FK5A114_1
(UBIQUITIN-LIKE
PROTEIN SMT3,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 10 TYR A 569
VAL A 210
ILE A 224
TYR A 226
ILE A 200
 None
 1.30A 3uqaA-3um6A:
undetectable		 3uqaA-3um6A:
14.31
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.
3UWL_B_FOZB316_0
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 HIS A 491
LEU A 516
GLY A 517
PHE A 520
ASN A 521
TYR A 553
 UMP  A 611 (-3.6A)
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-2.8A)
UMP  A 611 (-4.5A)
 0.69A 3uwlB-3um6A:
36.0		 3uwlB-3um6A:
22.96
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.
3UWL_B_FOZB316_0
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 LEU A 487
HIS A 491
LEU A 516
GLY A 517
PHE A 520
ASN A 521
 None
UMP  A 611 (-3.6A)
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-2.8A)
 0.97A 3uwlB-3um6A:
36.0		 3uwlB-3um6A:
22.96
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.
3UWL_D_FOZD316_0
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 HIS A 491
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 UMP  A 611 (-3.6A)
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-4.5A)
 0.72A 3uwlD-3um6A:
35.3		 3uwlD-3um6A:
22.96
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.
3UWL_D_FOZD316_0
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 LEU A 487
HIS A 491
LEU A 516
GLY A 517
PHE A 520
 None
UMP  A 611 (-3.6A)
None
UMP  A 611 (-3.3A)
None
 1.02A 3uwlD-3um6A:
35.3		 3uwlD-3um6A:
22.96
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.
3UWL_D_FOZD316_0
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 LEU A 487
LEU A 516
GLY A 517
PHE A 520
ASN A 521
 None
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-2.8A)
 0.79A 3uwlD-3um6A:
35.3		 3uwlD-3um6A:
22.96
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.
3UWL_D_FOZD316_0
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 TRP A 404
LEU A 487
LEU A 516
GLY A 517
ASN A 521
 None
None
None
UMP  A 611 (-3.3A)
UMP  A 611 (-2.8A)
 1.00A 3uwlD-3um6A:
35.3		 3uwlD-3um6A:
22.96
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.
3VAW_A_FK5A114_1
(UBIQUITIN-LIKE
PROTEIN
SMT3,PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 11 TYR A 569
VAL A 210
ILE A 224
TYR A 226
ILE A 200
 None
 1.27A 3vawA-3um6A:
undetectable		 3vawA-3um6A:
13.26
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.
3ZQT_A_30ZA1920_1
(ANDROGEN RECEPTOR)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 6 GLY A 393
ASN A 424
LEU A 397
ASN A 398
 None
 0.99A 3zqtA-3um6A:
undetectable		 3zqtA-3um6A:
17.61
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.
4A97_D_ZPCD1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 8 VAL A 140
MET A 104
ILE A 126
ASN A 124
 None
1CY  A 609 ( 4.5A)
None
None
 0.83A 4a97C-3um6A:
undetectable		 4a97C-3um6A:
17.59
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.
4A97_E_ZPCE1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 8 VAL A 140
MET A 104
ILE A 126
ASN A 124
 None
1CY  A 609 ( 4.5A)
None
None
 0.81A 4a97D-3um6A:
undetectable		 4a97D-3um6A:
17.59
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.
4A97_H_ZPCH1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 8 VAL A 140
MET A 104
ILE A 126
ASN A 124
 None
1CY  A 609 ( 4.5A)
None
None
 0.82A 4a97G-3um6A:
undetectable		 4a97G-3um6A:
17.59
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.
4A97_J_ZPCJ1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 8 VAL A 140
MET A 104
ILE A 126
ASN A 124
 None
1CY  A 609 ( 4.5A)
None
None
 0.81A 4a97I-3um6A:
undetectable		 4a97I-3um6A:
17.59
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.
4CD2_A_FOLA207_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 12 ILE A  14
PHE A  58
THR A 108
PHE A 116
LEU A 119
ARG A 122
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
None
None
None
1CY  A 609 (-4.3A)
 0.48A 4cd2A-3um6A:
20.3		 4cd2A-3um6A:
16.83
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.
4DFR_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ASP A  54
THR A 108
ILE A 112
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 (-2.9A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
None
 0.82A 4dfrA-3um6A:
19.4		 4dfrA-3um6A:
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.
4DFR_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ILE A  14
ASP A  54
THR A 108
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
NDP  A 610 ( 3.4A)
None
None
None
 0.48A 4dfrA-3um6A:
19.4		 4dfrA-3um6A:
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.
4DFR_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ILE A  14
ASP A  54
THR A 108
SER A 111
TYR A 170
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
NDP  A 610 ( 3.4A)
1CY  A 609 ( 4.4A)
None
 0.81A 4dfrA-3um6A:
19.4		 4dfrA-3um6A:
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.
4DFR_B_MTXB162_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ASP A  54
ILE A 112
LEU A 119
ARG A 122
ILE A 164
TYR A 170
 1CY  A 609 (-2.9A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 ( 4.0A)
None
 0.75A 4dfrB-3um6A:
19.8		 4dfrB-3um6A:
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.
4DFR_B_MTXB162_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
ASP A  54
LEU A 119
ARG A 122
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
None
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.43A 4dfrB-3um6A:
19.8		 4dfrB-3um6A:
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.
4DRH_A_RAPA201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 TYR A 569
VAL A 210
ILE A 224
TYR A 226
ILE A 200
 None
 1.25A 4drhA-3um6A:
undetectable		 4drhA-3um6A:
14.06
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.
4DRH_D_RAPD201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 TYR A 569
VAL A 210
ILE A 224
TYR A 226
ILE A 200
 None
 1.24A 4drhD-3um6A:
undetectable		 4drhD-3um6A:
14.06
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.
4DRI_A_RAPA201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 11 TYR A 569
VAL A 210
ILE A 224
TYR A 226
ILE A 200
 None
 1.25A 4driA-3um6A:
undetectable		 4driA-3um6A:
14.06
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.
4DRJ_A_RAPA201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 11 TYR A 569
VAL A 210
ILE A 224
TYR A 226
ILE A 200
 None
 1.28A 4drjA-3um6A:
undetectable		 4drjA-3um6A:
11.67
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.
4DZ2_A_FK5A200_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 11 TYR A 569
VAL A 210
ILE A 224
TYR A 226
ILE A 200
 None
 1.24A 4dz2A-3um6A:
undetectable
4dz2B-3um6A:
undetectable		 4dz2A-3um6A:
10.60
4dz2B-3um6A:
10.60
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.
4DZ2_B_FK5B200_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 11 TYR A 569
VAL A 210
ILE A 224
TYR A 226
ILE A 200
 None
 1.22A 4dz2A-3um6A:
undetectable
4dz2B-3um6A:
undetectable		 4dz2A-3um6A:
10.60
4dz2B-3um6A:
10.60
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.
4DZ3_A_FK5A201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 10 TYR A 569
VAL A 210
ILE A 224
TYR A 226
ILE A 200
 None
 1.26A 4dz3A-3um6A:
undetectable		 4dz3A-3um6A:
10.60
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.
4DZ3_B_FK5B201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 10 TYR A 569
VAL A 210
ILE A 224
TYR A 226
ILE A 200
 None
 1.27A 4dz3B-3um6A:
undetectable		 4dz3B-3um6A:
10.60
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.
4EB4_A_D16A402_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ASP A 513
LEU A 516
GLY A 517
ASN A 521
TYR A 553
 UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-2.8A)
UMP  A 611 (-4.5A)
 0.55A 4eb4A-3um6A:
41.2		 4eb4A-3um6A:
28.78
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.
4EB4_A_D16A402_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ILE A 403
ASP A 513
GLY A 517
ASN A 521
TYR A 553
 None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-2.8A)
UMP  A 611 (-4.5A)
 0.54A 4eb4A-3um6A:
41.2		 4eb4A-3um6A:
28.78
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.
4EB4_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ASP A 513
LEU A 516
GLY A 517
ASN A 521
TYR A 553
 UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-2.8A)
UMP  A 611 (-4.5A)
 0.54A 4eb4B-3um6A:
41.1		 4eb4B-3um6A:
28.78
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.
4EB4_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ILE A 403
ASP A 513
GLY A 517
ASN A 521
TYR A 553
 None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-2.8A)
UMP  A 611 (-4.5A)
 0.56A 4eb4B-3um6A:
41.1		 4eb4B-3um6A:
28.78
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.
4EB4_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 9 ASP A 513
LEU A 516
GLY A 517
ASN A 521
TYR A 553
 UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-2.8A)
UMP  A 611 (-4.5A)
 0.69A 4eb4C-3um6A:
40.8		 4eb4C-3um6A:
28.78
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.
4EB4_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 9 ILE A 403
ASP A 513
GLY A 517
ASN A 521
TYR A 553
 None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-2.8A)
UMP  A 611 (-4.5A)
 0.48A 4eb4C-3um6A:
40.8		 4eb4C-3um6A:
28.78
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.
4EB4_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 9 LEU A 516
GLY A 517
PHE A 520
ASN A 521
TYR A 553
 None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-2.8A)
UMP  A 611 (-4.5A)
 1.28A 4eb4C-3um6A:
40.8		 4eb4C-3um6A:
28.78
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.
4EB4_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 10 ASP A 513
LEU A 516
GLY A 517
ASN A 521
TYR A 553
 UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-2.8A)
UMP  A 611 (-4.5A)
 0.61A 4eb4D-3um6A:
41.6		 4eb4D-3um6A:
28.78
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.
4EB4_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 10 ILE A 403
ASP A 513
GLY A 517
ASN A 521
TYR A 553
 None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-2.8A)
UMP  A 611 (-4.5A)
 0.47A 4eb4D-3um6A:
41.6		 4eb4D-3um6A:
28.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ECK_A_FOLA703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 LEU A  46
PHE A  58
LEU A 119
ARG A 122
THR A 185
 NDP  A 610 (-4.4A)
1CY  A 609 (-3.5A)
None
None
1CY  A 609 (-4.3A)
 0.68A 4eckA-3um6A:
40.2		 4eckA-3um6A:
42.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ECK_A_FOLA703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 LEU A  46
PHE A 116
LEU A 119
ARG A 122
THR A 185
 NDP  A 610 (-4.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.75A 4eckA-3um6A:
40.2		 4eckA-3um6A:
42.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ECK_B_FOLB703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 LEU A  46
ASP A  54
PHE A  58
LEU A 119
ARG A 122
THR A 185
 NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
None
None
1CY  A 609 (-4.3A)
 0.76A 4eckB-3um6A:
40.0		 4eckB-3um6A:
42.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ECK_B_FOLB703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 LEU A  46
ASP A  54
PHE A 116
LEU A 119
ARG A 122
 NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
None
None
None
 0.85A 4eckB-3um6A:
40.0		 4eckB-3um6A:
42.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EIL_A_FOLA703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 11 ASP A  54
PHE A 116
LEU A 119
ARG A 122
THR A 185
 1CY  A 609 (-2.9A)
None
None
None
1CY  A 609 (-4.3A)
 0.51A 4eilA-3um6A:
41.9		 4eilA-3um6A:
41.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EIL_B_FOLB703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 10 ASP A  54
PHE A 116
LEU A 119
ARG A 122
THR A 185
 1CY  A 609 (-2.9A)
None
None
None
1CY  A 609 (-4.3A)
 0.61A 4eilB-3um6A:
42.4		 4eilB-3um6A:
41.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EIL_C_FOLC703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 11 ASP A  54
PHE A 116
LEU A 119
ARG A 122
THR A 185
 1CY  A 609 (-2.9A)
None
None
None
1CY  A 609 (-4.3A)
 0.44A 4eilC-3um6A:
41.9		 4eilC-3um6A:
41.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EIL_E_FOLE703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 11 ASP A  54
PHE A 116
LEU A 119
ARG A 122
THR A 185
 1CY  A 609 (-2.9A)
None
None
None
1CY  A 609 (-4.3A)
 0.35A 4eilE-3um6A:
41.9		 4eilE-3um6A:
41.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EIL_F_FOLF703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 9 ASP A  54
PHE A 116
LEU A 119
ARG A 122
THR A 185
 1CY  A 609 (-2.9A)
None
None
None
1CY  A 609 (-4.3A)
 0.63A 4eilF-3um6A:
42.1		 4eilF-3um6A:
41.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EIL_G_FOLG703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 10 ASP A  54
PHE A 116
LEU A 119
ARG A 122
THR A 185
 1CY  A 609 (-2.9A)
None
None
None
1CY  A 609 (-4.3A)
 0.43A 4eilG-3um6A:
42.0		 4eilG-3um6A:
41.63
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.
4EJ1_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ILE A  14
PHE A  58
THR A 108
LEU A 119
ILE A 164
TYR A 170
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
1CY  A 609 ( 4.0A)
None
 0.37A 4ej1A-3um6A:
19.2		 4ej1A-3um6A:
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.
4EJ1_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ILE A  14
PHE A  58
THR A 108
LEU A 119
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
None
1CY  A 609 (-4.3A)
 0.44A 4ej1B-3um6A:
19.2		 4ej1B-3um6A:
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.
4EJ1_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 THR A 108
ILE A 112
LEU A 119
TYR A 170
THR A 185
 NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 (-4.3A)
 0.72A 4ej1B-3um6A:
19.2		 4ej1B-3um6A:
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.
4FHB_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 12 ILE A  14
PHE A  58
THR A 108
LEU A 119
ARG A 122
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.44A 4fhbA-3um6A:
19.9		 4fhbA-3um6A:
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.
4FHB_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 THR A 108
ILE A 112
LEU A 119
ARG A 122
ILE A 164
 NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 ( 4.0A)
 0.71A 4fhbA-3um6A:
19.9		 4fhbA-3um6A:
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.
4FOG_A_C2FA302_0
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 11 ILE A 403
TRP A 404
LEU A 487
ASP A 513
GLY A 517
TYR A 553
 None
None
None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.90A 4fogA-3um6A:
35.8		 4fogA-3um6A:
22.30
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.
4FOG_A_C2FA302_0
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 11 LYS A 372
LEU A 487
ASP A 513
GLY A 517
PHE A 520
TYR A 553
 None
None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
None
UMP  A 611 (-4.5A)
 0.83A 4fogA-3um6A:
35.8		 4fogA-3um6A:
22.30
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.
4FOG_C_C2FC302_0
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 11 ILE A 403
LEU A 487
ASP A 513
GLY A 517
TYR A 553
 None
None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 1.05A 4fogC-3um6A:
35.7		 4fogC-3um6A:
22.30
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.
4FOG_C_C2FC302_0
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 11 ILE A 403
TRP A 404
LEU A 487
GLY A 517
TYR A 553
 None
None
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 1.05A 4fogC-3um6A:
35.7		 4fogC-3um6A:
22.30
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.
4FOG_C_C2FC302_0
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 11 LEU A 487
ASP A 513
GLY A 517
PHE A 520
TYR A 553
 None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
None
UMP  A 611 (-4.5A)
 0.85A 4fogC-3um6A:
35.7		 4fogC-3um6A:
22.30
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.
4FOG_D_C2FD302_0
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 11 ILE A 403
ASP A 513
LEU A 516
GLY A 517
TYR A 553
 None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.62A 4fogD-3um6A:
35.8		 4fogD-3um6A:
22.30
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.
4FOG_D_C2FD302_0
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 11 LYS A 372
LEU A 487
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 None
None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-4.5A)
 0.83A 4fogD-3um6A:
35.8		 4fogD-3um6A:
22.30
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.
4FOX_A_D16A301_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-4.5A)
 0.47A 4foxA-3um6A:
36.0		 4foxA-3um6A:
22.30
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.
4FOX_A_D16A301_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 GLU A 382
ILE A 403
LEU A 487
ASP A 513
GLY A 517
TYR A 553
 None
None
None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 1.01A 4foxA-3um6A:
36.0		 4foxA-3um6A:
22.30
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.
4FOX_B_D16B302_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-4.5A)
 0.41A 4foxB-3um6A:
36.2		 4foxB-3um6A:
22.30
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.
4FOX_B_D16B302_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 GLU A 382
ILE A 403
LEU A 487
ASP A 513
GLY A 517
TYR A 553
 None
None
None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.98A 4foxB-3um6A:
36.2		 4foxB-3um6A:
22.30
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.
4FOX_C_D16C301_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 11 ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-4.5A)
 0.46A 4foxC-3um6A:
36.0		 4foxC-3um6A:
22.30
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.
4FOX_C_D16C301_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 11 GLU A 382
ASP A 513
LEU A 516
GLY A 517
TYR A 553
 None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.72A 4foxC-3um6A:
36.0		 4foxC-3um6A:
22.30
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.
4FOX_D_D16D301_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-4.5A)
 0.38A 4foxD-3um6A:
35.6		 4foxD-3um6A:
22.30
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.
4FOX_D_D16D301_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 GLU A 382
ASP A 513
LEU A 516
GLY A 517
TYR A 553
 None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.71A 4foxD-3um6A:
35.6		 4foxD-3um6A:
22.30
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.
4FOX_D_D16D301_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 GLU A 382
ILE A 403
ASP A 513
GLY A 517
TYR A 553
 None
None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.86A 4foxD-3um6A:
35.6		 4foxD-3um6A:
22.30
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.
4FOX_E_D16E301_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 LYS A 372
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-4.5A)
 0.52A 4foxE-3um6A:
36.0		 4foxE-3um6A:
22.30
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.
4FOX_E_D16E301_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 LYS A 372
GLU A 382
ILE A 403
ASP A 513
GLY A 517
TYR A 553
 None
None
None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.86A 4foxE-3um6A:
36.0		 4foxE-3um6A:
22.30
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.
4FOX_F_D16F301_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 11 GLU A 382
ILE A 403
ASP A 513
GLY A 517
TYR A 553
 None
None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.87A 4foxF-3um6A:
35.9		 4foxF-3um6A:
22.30
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.
4FOX_F_D16F301_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 11 GLU A 382
ILE A 403
LEU A 487
ASP A 513
GLY A 517
 None
None
None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
 1.18A 4foxF-3um6A:
35.9		 4foxF-3um6A:
22.30
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.
4FOX_G_D16G301_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-4.5A)
 0.39A 4foxG-3um6A:
35.9		 4foxG-3um6A:
22.30
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.
4FOX_G_D16G301_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 GLU A 382
ASP A 513
LEU A 516
GLY A 517
TYR A 553
 None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.67A 4foxG-3um6A:
35.9		 4foxG-3um6A:
22.30
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.
4FOX_G_D16G301_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 GLU A 382
ILE A 403
ASP A 513
GLY A 517
TYR A 553
 None
None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.80A 4foxG-3um6A:
35.9		 4foxG-3um6A:
22.30
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.
4FOX_G_D16G301_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 GLU A 382
ILE A 403
LEU A 487
ASP A 513
GLY A 517
 None
None
None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
 1.11A 4foxG-3um6A:
35.9		 4foxG-3um6A:
22.30
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.
4FOX_H_D16H301_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 11 GLU A 382
ILE A 403
ASP A 513
GLY A 517
TYR A 553
 None
None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.93A 4foxH-3um6A:
35.5		 4foxH-3um6A:
22.30
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.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-4.5A)
 0.42A 4fqsA-3um6A:
35.7		 4fqsA-3um6A:
22.30
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.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 GLU A 382
ASP A 513
LEU A 516
GLY A 517
TYR A 553
 None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.69A 4fqsA-3um6A:
35.7		 4fqsA-3um6A:
22.30
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.
4FQS_B_LYAB302_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-4.5A)
 0.42A 4fqsB-3um6A:
35.7		 4fqsB-3um6A:
22.30
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.
4FQS_B_LYAB302_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 GLU A 382
ASP A 513
LEU A 516
GLY A 517
TYR A 553
 None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.68A 4fqsB-3um6A:
35.7		 4fqsB-3um6A:
22.30
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.
4G8Z_X_TOPX301_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 10 ILE A  14
LEU A  46
PHE A  58
SER A 111
PRO A 113
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
NDP  A 610 (-4.4A)
1CY  A 609 (-3.5A)
1CY  A 609 ( 4.4A)
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.64A 4g8zX-3um6A:
21.7		 4g8zX-3um6A:
15.99
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.
4GH8_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 12 ILE A  14
ASP A  54
SER A 111
ILE A 112
PRO A 113
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
None
None
None
None
 0.72A 4gh8A-3um6A:
21.7		 4gh8A-3um6A:
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.
4GH8_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
ASP A  54
SER A 111
ILE A 112
PRO A 113
ARG A 122
TYR A 170
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
None
None
None
 0.69A 4gh8B-3um6A:
21.4		 4gh8B-3um6A:
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.
4I13_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
PHE A  58
THR A 108
ILE A 112
LEU A 119
ILE A 164
TYR A 170
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
1CY  A 609 ( 4.0A)
None
 0.63A 4i13A-3um6A:
19.2		 4i13A-3um6A:
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.
4I13_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		3 / 3 ASP A  54
ARG A 122
THR A 185
 1CY  A 609 (-2.9A)
None
1CY  A 609 (-4.3A)
 0.25A 4i13A-3um6A:
19.2		 4i13A-3um6A:
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.
4I1N_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 11 ILE A  14
ASP A  54
PHE A  58
LEU A 119
ARG A 122
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
None
None
None
1CY  A 609 (-4.3A)
 0.42A 4i1nA-3um6A:
19.1		 4i1nA-3um6A:
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.
4IQQ_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 7 ASP A 513
LEU A 516
GLY A 517
TYR A 553
 UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.72A 4iqqB-3um6A:
38.6		 4iqqB-3um6A:
28.74
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.
4IQQ_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 7 ILE A 403
ASP A 513
GLY A 517
TYR A 553
 None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.49A 4iqqB-3um6A:
38.6		 4iqqB-3um6A:
28.74
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.
4IQQ_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 7 ASP A 513
LEU A 516
GLY A 517
TYR A 553
 UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.60A 4iqqC-3um6A:
39.1		 4iqqC-3um6A:
28.74
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.
4IQQ_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 7 ILE A 403
ASP A 513
GLY A 517
TYR A 553
 None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.40A 4iqqC-3um6A:
39.1		 4iqqC-3um6A:
28.74
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.
4KEB_B_FOLB202_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 12 ILE A  14
LEU A  46
PHE A  58
THR A 108
ILE A 112
LEU A 119
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
NDP  A 610 (-4.4A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 (-4.3A)
 0.56A 4kebB-3um6A:
22.3		 4kebB-3um6A:
13.98
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 12 ILE A  14
LEU A  46
PHE A  58
ILE A 112
PRO A 113
LEU A 119
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
NDP  A 610 (-4.4A)
1CY  A 609 (-3.5A)
1CY  A 609 (-4.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.63A 4kfjB-3um6A:
22.4		 4kfjB-3um6A:
13.98
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ALA A  60
PHE A  58
THR A 108
LEU A 119
ILE A 164
TYR A 170
 None
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
1CY  A 609 ( 4.0A)
None
 1.26A 4kjjA-3um6A:
19.6		 4kjjA-3um6A:
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.
4KJJ_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ILE A  14
PHE A  58
THR A 108
LEU A 119
ILE A 164
TYR A 170
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
1CY  A 609 ( 4.0A)
None
 0.34A 4kjjA-3um6A:
19.6		 4kjjA-3um6A:
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.
4KJK_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ILE A  14
PHE A  58
THR A 108
LEU A 119
ILE A 164
TYR A 170
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
1CY  A 609 ( 4.0A)
None
 0.33A 4kjkA-3um6A:
20.4		 4kjkA-3um6A:
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.
4KJL_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
PHE A  58
THR A 108
LEU A 119
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.39A 4kjlA-3um6A:
20.7		 4kjlA-3um6A:
13.05
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.
4KJL_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 THR A 108
ILE A 112
LEU A 119
ILE A 164
THR A 185
 NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
1CY  A 609 ( 4.0A)
1CY  A 609 (-4.3A)
 0.83A 4kjlA-3um6A:
20.7		 4kjlA-3um6A:
13.05
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.
4KM0_A_CP6A201_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 10 ILE A  14
ASP A  54
PHE A  58
THR A 108
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.54A 4km0A-3um6A:
18.4		 4km0A-3um6A:
15.26
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.
4KM0_B_CP6B201_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
ASP A  54
PHE A  58
THR A 108
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.53A 4km0B-3um6A:
18.8		 4km0B-3um6A:
15.26
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.
4KM2_A_TOPA202_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 12 ILE A  14
ASP A  54
PHE A  58
THR A 108
LEU A 119
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.47A 4km2A-3um6A:
19.0		 4km2A-3um6A:
15.26
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.
4KM2_B_TOPB202_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
ASP A  54
PHE A  58
LEU A 119
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.46A 4km2B-3um6A:
18.5		 4km2B-3um6A:
15.26
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.
4KM2_B_TOPB202_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ILE A  14
PHE A  58
THR A 108
LEU A 119
ILE A 164
TYR A 170
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
1CY  A 609 ( 4.0A)
None
 0.35A 4km2B-3um6A:
18.5		 4km2B-3um6A:
15.26
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.
4KMM_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 5 MET A 358
LEU A 547
PRO A 367
SER A 526
 None
 1.19A 4kmmB-3um6A:
undetectable		 4kmmB-3um6A:
19.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KY8_A_MTXA603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 LEU A  46
ASP A  54
SER A 111
ILE A 112
LEU A 119
ARG A 122
THR A 185
 NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 (-4.3A)
 0.82A 4ky8A-3um6A:
39.5		 4ky8A-3um6A:
40.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KY8_B_MTXB603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 LEU A  46
ASP A  54
SER A 111
ILE A 112
LEU A 119
ARG A 122
THR A 185
 NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 (-4.3A)
 0.88A 4ky8B-3um6A:
39.5		 4ky8B-3um6A:
40.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KY8_C_MTXC603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 LEU A  46
ASP A  54
ILE A 112
LEU A 119
ARG A 122
THR A 185
 NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 (-4.3A)
 0.82A 4ky8C-3um6A:
40.1		 4ky8C-3um6A:
40.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KY8_C_MTXC603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 LEU A  46
ASP A  54
SER A 111
ILE A 112
THR A 185
 NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
1CY  A 609 (-4.3A)
 0.78A 4ky8C-3um6A:
40.1		 4ky8C-3um6A:
40.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KY8_D_MTXD603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 LEU A  46
ASP A  54
SER A 111
ILE A 112
LEU A 119
ARG A 122
THR A 185
 NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 (-4.3A)
 0.87A 4ky8D-3um6A:
39.5		 4ky8D-3um6A:
40.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KY8_E_MTXE603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 LEU A  46
ASP A  54
SER A 111
ILE A 112
LEU A 119
ARG A 122
THR A 185
 NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 (-4.3A)
 0.88A 4ky8E-3um6A:
40.6		 4ky8E-3um6A:
40.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KYA_A_FOLA703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 11 ASP A  54
THR A 108
PHE A 116
LEU A 119
ARG A 122
THR A 185
 1CY  A 609 (-2.9A)
NDP  A 610 ( 3.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.52A 4kyaA-3um6A:
42.0		 4kyaA-3um6A:
41.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KYA_B_FOLB703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ASP A  54
PHE A 116
LEU A 119
ARG A 122
THR A 185
 1CY  A 609 (-2.9A)
None
None
None
1CY  A 609 (-4.3A)
 0.56A 4kyaB-3um6A:
42.0		 4kyaB-3um6A:
41.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KYA_C_FOLC703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 10 ASP A  54
PHE A 116
LEU A 119
ARG A 122
THR A 185
 1CY  A 609 (-2.9A)
None
None
None
1CY  A 609 (-4.3A)
 0.56A 4kyaC-3um6A:
40.9		 4kyaC-3um6A:
41.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KYA_D_FOLD703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ASP A  54
PHE A 116
LEU A 119
ARG A 122
THR A 185
 1CY  A 609 (-2.9A)
None
None
None
1CY  A 609 (-4.3A)
 0.62A 4kyaD-3um6A:
40.7		 4kyaD-3um6A:
41.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KYA_E_FOLE703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 11 ASP A  54
THR A 108
PHE A 116
LEU A 119
ARG A 122
THR A 185
 1CY  A 609 (-2.9A)
NDP  A 610 ( 3.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.51A 4kyaE-3um6A:
41.9		 4kyaE-3um6A:
41.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KYA_F_FOLF703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ASP A  54
PHE A 116
LEU A 119
ARG A 122
THR A 185
 1CY  A 609 (-2.9A)
None
None
None
1CY  A 609 (-4.3A)
 0.61A 4kyaF-3um6A:
42.0		 4kyaF-3um6A:
41.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KYA_G_FOLG703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 11 ASP A  54
THR A 108
PHE A 116
LEU A 119
ARG A 122
THR A 185
 1CY  A 609 (-2.9A)
NDP  A 610 ( 3.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.55A 4kyaG-3um6A:
42.0		 4kyaG-3um6A:
41.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KYA_H_FOLH703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ASP A  54
PHE A 116
LEU A 119
ARG A 122
THR A 185
 1CY  A 609 (-2.9A)
None
None
None
1CY  A 609 (-4.3A)
 0.58A 4kyaH-3um6A:
42.0		 4kyaH-3um6A:
41.63
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.
4LAX_A_FK5A301_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 10 TYR A 569
VAL A 210
ILE A 224
TYR A 226
ILE A 200
 None
 1.26A 4laxA-3um6A:
undetectable		 4laxA-3um6A:
17.66
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.
4M2X_A_TMQA202_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
ASP A  54
PHE A  58
PRO A 113
LEU A 119
ILE A 164
TYR A 170
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
None
None
1CY  A 609 ( 4.0A)
None
 0.61A 4m2xA-3um6A:
19.1		 4m2xA-3um6A:
15.46
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.
4M2X_C_TMQC202_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
ASP A  54
PRO A 113
LEU A 119
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
None
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.63A 4m2xC-3um6A:
19.1		 4m2xC-3um6A:
15.46
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.
4M2X_E_TMQE202_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ILE A  14
ASP A  54
PRO A 113
LEU A 119
ILE A 164
TYR A 170
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
None
None
1CY  A 609 ( 4.0A)
None
 0.63A 4m2xE-3um6A:
19.0		 4m2xE-3um6A:
15.46
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.
4M2X_G_TMQG202_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ILE A  14
ASP A  54
PRO A 113
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.52A 4m2xG-3um6A:
19.6		 4m2xG-3um6A:
15.46
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.
4M6K_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 12 ILE A  14
LEU A  46
PHE A  58
THR A 108
PRO A 113
LEU A 119
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
NDP  A 610 (-4.4A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.61A 4m6kA-3um6A:
22.5		 4m6kA-3um6A:
14.14
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.
4M6K_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 12 ILE A  14
LEU A  46
THR A 108
ILE A 112
PRO A 113
LEU A 119
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
NDP  A 610 (-4.4A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.65A 4m6kA-3um6A:
22.5		 4m6kA-3um6A:
14.14
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.
4NNR_A_FK5A201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP2)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 TYR A 569
VAL A 210
ILE A 224
TYR A 226
ILE A 200
 None
 1.22A 4nnrA-3um6A:
undetectable
4nnrB-3um6A:
undetectable		 4nnrA-3um6A:
12.15
4nnrB-3um6A:
12.15
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.
4NNR_B_FK5B201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP2)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 10 TYR A 569
VAL A 210
ILE A 224
TYR A 226
ILE A 200
 None
 1.22A 4nnrB-3um6A:
undetectable		 4nnrB-3um6A:
12.15
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.
4NX6_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 PHE A  58
THR A 108
LEU A 119
ILE A 164
TYR A 170
 1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
1CY  A 609 ( 4.0A)
None
 0.33A 4nx6A-3um6A:
20.8		 4nx6A-3um6A:
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.
4NX6_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 4 ILE A  14
ASP A  54
ARG A 122
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
None
1CY  A 609 (-4.3A)
 0.29A 4nx6A-3um6A:
20.8		 4nx6A-3um6A:
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.
4NX7_A_FOLA202_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 PHE A  58
THR A 108
LEU A 119
ILE A 164
TYR A 170
 1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
1CY  A 609 ( 4.0A)
None
 0.35A 4nx7A-3um6A:
20.6		 4nx7A-3um6A:
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.
4NX7_A_FOLA202_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 4 ILE A  14
ASP A  54
ARG A 122
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
None
1CY  A 609 (-4.3A)
 0.29A 4nx7A-3um6A:
20.6		 4nx7A-3um6A:
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.
4P3Q_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ILE A  14
PHE A  58
THR A 108
LEU A 119
ILE A 164
TYR A 170
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
1CY  A 609 ( 4.0A)
None
 0.29A 4p3qA-3um6A:
20.8		 4p3qA-3um6A:
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.
4P3Q_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ILE A  14
THR A 108
ILE A 112
LEU A 119
ILE A 164
 1CY  A 609 (-4.3A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
1CY  A 609 ( 4.0A)
 0.73A 4p3qA-3um6A:
20.8		 4p3qA-3um6A:
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.
4P3R_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ILE A  14
PHE A  58
THR A 108
LEU A 119
ILE A 164
TYR A 170
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
1CY  A 609 ( 4.0A)
None
 0.36A 4p3rA-3um6A:
20.7		 4p3rA-3um6A:
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.
4P3R_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		3 / 3 ASP A  54
ARG A 122
THR A 185
 1CY  A 609 (-2.9A)
None
1CY  A 609 (-4.3A)
 0.26A 4p3rA-3um6A:
20.7		 4p3rA-3um6A:
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.
4P66_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 11 ILE A  14
ASP A  54
LEU A 119
ARG A 122
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
None
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.33A 4p66A-3um6A:
20.9		 4p66A-3um6A:
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.
4P68_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 11 ILE A  14
ASP A  54
PHE A  58
SER A 111
ARG A 122
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
1CY  A 609 ( 4.4A)
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.33A 4p68A-3um6A:
21.0		 4p68A-3um6A:
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.
4P68_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 11 ILE A  14
ASP A  54
SER A 111
ILE A 112
ARG A 122
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.56A 4p68A-3um6A:
21.0		 4p68A-3um6A:
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.
4P6X_I_HCYI900_1
(GLUCOCORTICOID
RECEPTOR)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 LEU A 514
GLY A 517
LEU A 547
MET A 358
THR A 371
 None
UMP  A 611 (-3.3A)
None
None
None
 1.31A 4p6xI-3um6A:
undetectable		 4p6xI-3um6A:
17.00
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.
4PSS_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ALA A  60
PHE A  58
THR A 108
LEU A 119
ILE A 164
TYR A 170
 None
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
1CY  A 609 ( 4.0A)
None
 1.27A 4pssA-3um6A:
undetectable		 4pssA-3um6A:
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.
4PSS_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ILE A  14
PHE A  58
THR A 108
LEU A 119
ILE A 164
TYR A 170
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
1CY  A 609 ( 4.0A)
None
 0.37A 4pssA-3um6A:
undetectable		 4pssA-3um6A:
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.
4PST_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 PHE A  58
THR A 108
LEU A 119
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.35A 4pstA-3um6A:
undetectable		 4pstA-3um6A:
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.
4PST_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 THR A 108
ILE A 112
LEU A 119
ILE A 164
THR A 185
 NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
1CY  A 609 ( 4.0A)
1CY  A 609 (-4.3A)
 0.87A 4pstA-3um6A:
undetectable		 4pstA-3um6A:
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.
4PST_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		3 / 3 ILE A  14
ASP A  54
ARG A 122
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
None
 0.25A 4pstA-3um6A:
undetectable		 4pstA-3um6A:
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.
4PSY_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ILE A  14
PHE A  58
LEU A 119
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
None
None
1CY  A 609 (-4.3A)
 0.41A 4psyA-3um6A:
20.6		 4psyA-3um6A:
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.
4PTH_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
THR A 108
LEU A 119
ARG A 122
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
NDP  A 610 ( 3.4A)
None
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.39A 4pthA-3um6A:
20.4		 4pthA-3um6A:
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.
4PTH_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 THR A 108
ILE A 112
LEU A 119
ARG A 122
ILE A 164
THR A 185
 NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 ( 4.0A)
1CY  A 609 (-4.3A)
 0.79A 4pthA-3um6A:
20.4		 4pthA-3um6A:
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.
4PTJ_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
PHE A  58
THR A 108
ARG A 122
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.34A 4ptjA-3um6A:
20.7		 4ptjA-3um6A:
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.
4PTJ_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 THR A 108
ILE A 112
ARG A 122
ILE A 164
THR A 185
 NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
1CY  A 609 ( 4.0A)
1CY  A 609 (-4.3A)
 0.73A 4ptjA-3um6A:
20.7		 4ptjA-3um6A:
13.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q0D_A_MTXA604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 LEU A  46
ASP A  54
ILE A 112
LEU A 119
ARG A 122
TYR A 170
THR A 185
 NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
1CY  A 609 (-4.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.81A 4q0dA-3um6A:
41.1		 4q0dA-3um6A:
40.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q0D_B_MTXB604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 LEU A  46
ASP A  54
ILE A 112
LEU A 119
ARG A 122
TYR A 170
THR A 185
 NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
1CY  A 609 (-4.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.82A 4q0dB-3um6A:
41.1		 4q0dB-3um6A:
40.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q0D_C_MTXC604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 LEU A  46
ASP A  54
LEU A 119
ARG A 122
TYR A 170
THR A 185
 NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
None
None
None
1CY  A 609 (-4.3A)
 0.44A 4q0dC-3um6A:
41.0		 4q0dC-3um6A:
40.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q0D_C_MTXC604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 LEU A  46
ASP A  54
SER A 111
TYR A 170
THR A 185
 NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
None
1CY  A 609 (-4.3A)
 0.73A 4q0dC-3um6A:
41.0		 4q0dC-3um6A:
40.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q0D_D_MTXD604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 LEU A  46
ASP A  54
LEU A 119
ARG A 122
TYR A 170
THR A 185
 NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
None
None
None
1CY  A 609 (-4.3A)
 0.45A 4q0dD-3um6A:
41.0		 4q0dD-3um6A:
40.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q0D_D_MTXD604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 LEU A  46
ASP A  54
SER A 111
TYR A 170
THR A 185
 NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
None
1CY  A 609 (-4.3A)
 0.73A 4q0dD-3um6A:
41.0		 4q0dD-3um6A:
40.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q0D_E_MTXE604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 LEU A  46
ASP A  54
ILE A 112
LEU A 119
ARG A 122
TYR A 170
THR A 185
 NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
1CY  A 609 (-4.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.81A 4q0dE-3um6A:
41.1		 4q0dE-3um6A:
40.26
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.
4QI9_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ASP A  54
ILE A 112
LEU A 119
ARG A 122
TYR A 170
THR A 185
 1CY  A 609 (-2.9A)
1CY  A 609 (-4.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.83A 4qi9A-3um6A:
18.5		 4qi9A-3um6A:
16.82
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.
4QI9_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ASP A  54
SER A 111
ILE A 112
TYR A 170
THR A 185
 1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
None
1CY  A 609 (-4.3A)
 0.98A 4qi9A-3um6A:
18.5		 4qi9A-3um6A:
16.82
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.
4QI9_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ILE A  14
ASP A  54
LEU A 119
ARG A 122
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
None
None
None
1CY  A 609 (-4.3A)
 0.47A 4qi9A-3um6A:
18.5		 4qi9A-3um6A:
16.82
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.
4QI9_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ILE A  14
ASP A  54
SER A 111
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
None
1CY  A 609 (-4.3A)
 0.64A 4qi9A-3um6A:
18.5		 4qi9A-3um6A:
16.82
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.
4QI9_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ASP A  54
ILE A 112
LEU A 119
ARG A 122
TYR A 170
THR A 185
 1CY  A 609 (-2.9A)
1CY  A 609 (-4.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.78A 4qi9B-3um6A:
18.9		 4qi9B-3um6A:
16.82
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.
4QI9_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ASP A  54
SER A 111
ILE A 112
TYR A 170
THR A 185
 1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
None
1CY  A 609 (-4.3A)
 0.95A 4qi9B-3um6A:
18.9		 4qi9B-3um6A:
16.82
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.
4QI9_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ILE A  14
ASP A  54
LEU A 119
ARG A 122
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
None
None
None
1CY  A 609 (-4.3A)
 0.46A 4qi9B-3um6A:
18.9		 4qi9B-3um6A:
16.82
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.
4QI9_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ILE A  14
ASP A  54
SER A 111
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
None
1CY  A 609 (-4.3A)
 0.63A 4qi9B-3um6A:
18.9		 4qi9B-3um6A:
16.82
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.
4QI9_C_MTXC201_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 11 ASP A  54
ILE A 112
LEU A 119
ARG A 122
TYR A 170
THR A 185
 1CY  A 609 (-2.9A)
1CY  A 609 (-4.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.80A 4qi9C-3um6A:
17.2		 4qi9C-3um6A:
16.82
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.
4QI9_C_MTXC201_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 11 ASP A  54
SER A 111
ILE A 112
TYR A 170
THR A 185
 1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
None
1CY  A 609 (-4.3A)
 1.00A 4qi9C-3um6A:
17.2		 4qi9C-3um6A:
16.82
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.
4QI9_C_MTXC201_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 11 ILE A  14
ASP A  54
LEU A 119
ARG A 122
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
None
None
None
1CY  A 609 (-4.3A)
 0.48A 4qi9C-3um6A:
17.2		 4qi9C-3um6A:
16.82
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.
4QI9_C_MTXC201_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 11 ILE A  14
ASP A  54
SER A 111
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
None
1CY  A 609 (-4.3A)
 0.67A 4qi9C-3um6A:
17.2		 4qi9C-3um6A:
16.82
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.
4QLE_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ASP A  54
THR A 108
ILE A 112
LEU A 119
THR A 185
 1CY  A 609 (-2.9A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
1CY  A 609 (-4.3A)
 0.77A 4qleA-3um6A:
19.7		 4qleA-3um6A:
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.
4QLE_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
ASP A  54
PHE A  58
THR A 108
LEU A 119
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
None
1CY  A 609 (-4.3A)
 0.44A 4qleA-3um6A:
19.7		 4qleA-3um6A:
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.
4QLE_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 11 ASP A  54
ILE A 112
LEU A 119
ARG A 122
THR A 185
 1CY  A 609 (-2.9A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 (-4.3A)
 0.81A 4qleB-3um6A:
19.8		 4qleB-3um6A:
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.
4QLE_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 11 ASP A  54
SER A 111
ILE A 112
ARG A 122
THR A 185
 1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
None
1CY  A 609 (-4.3A)
 0.98A 4qleB-3um6A:
19.8		 4qleB-3um6A:
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.
4QLE_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 11 ILE A  14
ASP A  54
LEU A 119
ARG A 122
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
None
None
None
1CY  A 609 (-4.3A)
 0.37A 4qleB-3um6A:
19.8		 4qleB-3um6A:
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.
4QLE_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 11 ILE A  14
ASP A  54
SER A 111
ARG A 122
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
None
None
1CY  A 609 (-4.3A)
 0.67A 4qleB-3um6A:
19.8		 4qleB-3um6A:
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.
4QLF_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 11 ILE A  14
ASP A  54
PHE A  58
LEU A 119
ARG A 122
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
None
None
None
1CY  A 609 (-4.3A)
 0.43A 4qlfA-3um6A:
17.6		 4qlfA-3um6A:
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.
4QLG_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ASP A  54
ILE A 112
LEU A 119
ARG A 122
THR A 185
 1CY  A 609 (-2.9A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 (-4.3A)
 0.74A 4qlgA-3um6A:
20.0		 4qlgA-3um6A:
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.
4QLG_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
ASP A  54
PHE A  58
LEU A 119
ARG A 122
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
None
None
None
1CY  A 609 (-4.3A)
 0.39A 4qlgA-3um6A:
20.0		 4qlgA-3um6A:
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.
4QLG_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ASP A  54
THR A 108
ILE A 112
LEU A 119
ARG A 122
TYR A 170
THR A 185
 1CY  A 609 (-2.9A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.72A 4qlgB-3um6A:
19.7		 4qlgB-3um6A:
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.
4QLG_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		8 / 12 ILE A  14
ASP A  54
PHE A  58
THR A 108
LEU A 119
ARG A 122
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.45A 4qlgB-3um6A:
19.7		 4qlgB-3um6A:
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.
4QT2_A_RAPA202_1
(FK506-BINDING
PROTEIN (FKBP)-TYPE
PEPTIDYL-PROPYL
ISOMERASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 10 TYR A 569
VAL A 210
ILE A 224
TYR A 226
ILE A 200
 None
 1.25A 4qt2A-3um6A:
undetectable		 4qt2A-3um6A:
11.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QT3_A_RAPA202_1
(FK506-BINDING
PROTEIN (FKBP)-TYPE
PEPTIDYL-PROPYL
ISOMERASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 10 TYR A 569
VAL A 210
ILE A 224
TYR A 226
ILE A 200
 None
 1.21A 4qt3A-3um6A:
undetectable		 4qt3A-3um6A:
11.19
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.
4QTU_B_SAMB301_1
(PUTATIVE
METHYLTRANSFERASE
BUD23)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 5 TYR A 328
GLN A 563
ASP A 513
ASP A 344
 None
None
UMP  A 611 (-4.9A)
None
 1.45A 4qtuB-3um6A:
undetectable		 4qtuB-3um6A:
15.26
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.
4RGC_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ASP A  54
ILE A 112
LEU A 119
ARG A 122
THR A 185
 1CY  A 609 (-2.9A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 (-4.3A)
 0.74A 4rgcA-3um6A:
20.9		 4rgcA-3um6A:
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.
4RGC_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
ASP A  54
PHE A  58
LEU A 119
ARG A 122
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
None
None
None
1CY  A 609 (-4.3A)
 0.36A 4rgcA-3um6A:
20.9		 4rgcA-3um6A:
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.
4UY8_7_TRP71002_0
(TRYPTOPHANASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 4 ILE A 307
ASN A 303
ILE A 335
VAL A 552
 None
 1.27A 4uy87-3um6A:
undetectable		 4uy87-3um6A:
3.28
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.
4X5F_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
PHE A  58
THR A 108
LEU A 119
ARG A 122
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.36A 4x5fA-3um6A:
19.8		 4x5fA-3um6A:
13.05
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.
4X5F_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 THR A 108
ILE A 112
LEU A 119
ARG A 122
THR A 185
 NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 (-4.3A)
 0.76A 4x5fA-3um6A:
19.8		 4x5fA-3um6A:
13.05
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.
4X5F_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
PHE A  58
THR A 108
LEU A 119
ARG A 122
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.35A 4x5fB-3um6A:
20.0		 4x5fB-3um6A:
13.05
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.
4X5F_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 THR A 108
ILE A 112
LEU A 119
ARG A 122
THR A 185
 NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 (-4.3A)
 0.72A 4x5fB-3um6A:
20.0		 4x5fB-3um6A:
13.05
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.
4X5G_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ASP A  54
THR A 108
ILE A 112
LEU A 119
THR A 185
 1CY  A 609 (-2.9A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
1CY  A 609 (-4.3A)
 0.74A 4x5gA-3um6A:
19.7		 4x5gA-3um6A:
13.05
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.
4X5G_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
ASP A  54
PHE A  58
THR A 108
LEU A 119
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
None
1CY  A 609 (-4.3A)
 0.41A 4x5gA-3um6A:
19.7		 4x5gA-3um6A:
13.05
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.
4X5G_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
THR A 108
LEU A 119
ARG A 122
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
NDP  A 610 ( 3.4A)
None
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.36A 4x5gB-3um6A:
19.9		 4x5gB-3um6A:
13.05
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.
4X5G_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 THR A 108
ILE A 112
LEU A 119
ARG A 122
ILE A 164
THR A 185
 NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 ( 4.0A)
1CY  A 609 (-4.3A)
 0.75A 4x5gB-3um6A:
19.9		 4x5gB-3um6A:
13.05
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.
4X5H_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ILE A  14
PHE A  58
THR A 108
LEU A 119
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
None
1CY  A 609 (-4.3A)
 0.45A 4x5hA-3um6A:
19.4		 4x5hA-3um6A:
13.05
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.
4X5I_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
PHE A  58
THR A 108
LEU A 119
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.47A 4x5iA-3um6A:
19.2		 4x5iA-3um6A:
13.05
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.
4X5J_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ILE A  14
PHE A  58
THR A 108
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.41A 4x5jA-3um6A:
19.3		 4x5jA-3um6A:
13.05
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.
5B8I_C_FK5C201_3
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 TYR A 569
VAL A 210
ILE A 224
TYR A 226
ILE A 200
 None
 1.25A 5b8iC-3um6A:
undetectable		 5b8iC-3um6A:
11.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DLV_A_5D5A930_0
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ASP A  54
THR A 185
LEU A 221
PRO A 572
ILE A 593
 1CY  A 609 (-2.9A)
1CY  A 609 (-4.3A)
None
None
None
 1.43A 5dlvA-3um6A:
undetectable		 5dlvA-3um6A:
20.57
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.
5DLV_B_5D5B927_0
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ASP A  54
THR A 185
LEU A 221
PRO A 572
ILE A 593
 1CY  A 609 (-2.9A)
1CY  A 609 (-4.3A)
None
None
None
 1.42A 5dlvB-3um6A:
undetectable		 5dlvB-3um6A:
20.57
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.
5DZK_4_BEZ4801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 5 LEU A 560
PHE A 312
ILE A 557
ILE A 307
 None
 0.90A 5dzk4-3um6A:
undetectable
5dzkg-3um6A:
undetectable
5dzkm-3um6A:
undetectable
5dzkn-3um6A:
undetectable		 5dzk4-3um6A:
1.31
5dzkg-3um6A:
13.32
5dzkm-3um6A:
14.89
5dzkn-3um6A:
14.89
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.
5DZK_Y_BEZY801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 5 PHE A 312
ILE A 557
ILE A 307
LEU A 560
 None
 0.87A 5dzkd-3um6A:
undetectable
5dzkk-3um6A:
undetectable
5dzky-3um6A:
undetectable		 5dzkd-3um6A:
13.32
5dzkk-3um6A:
14.89
5dzky-3um6A:
1.31
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.
5E8Q_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ILE A  14
PHE A  58
THR A 108
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.53A 5e8qA-3um6A:
19.6		 5e8qA-3um6A:
13.05
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.
5E8Q_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 THR A 108
ILE A 112
ILE A 164
TYR A 170
THR A 185
 NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.85A 5e8qA-3um6A:
19.6		 5e8qA-3um6A:
13.05
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.
5E8Q_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		3 / 3 ASP A  54
LEU A 119
ARG A 122
 1CY  A 609 (-2.9A)
None
None
 0.43A 5e8qA-3um6A:
19.6		 5e8qA-3um6A:
13.05
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.
5E8Q_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ILE A  14
PHE A  58
THR A 108
LEU A 119
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
None
1CY  A 609 (-4.3A)
 0.54A 5e8qB-3um6A:
19.7		 5e8qB-3um6A:
13.05
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.
5EAJ_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
PHE A  58
THR A 108
LEU A 119
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.49A 5eajA-3um6A:
19.7		 5eajA-3um6A:
13.05
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.
5EAJ_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 THR A 108
ILE A 112
LEU A 119
ILE A 164
TYR A 170
 NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
1CY  A 609 ( 4.0A)
None
 0.76A 5eajA-3um6A:
19.7		 5eajA-3um6A:
13.05
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.
5EAJ_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ILE A  14
PHE A  58
THR A 108
LEU A 119
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
None
1CY  A 609 (-4.3A)
 0.49A 5eajB-3um6A:
19.7		 5eajB-3um6A:
13.05
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.
5FCT_B_C2FB402_0
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 LYS A 372
CYH A 490
LEU A 516
TYR A 553
MET A 604
 None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-4.5A)
None
 1.00A 5fctB-3um6A:
41.1		 5fctB-3um6A:
28.78
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.
5GPG_A_RAPA301_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP3)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 11 TYR A 569
VAL A 210
ILE A 224
TYR A 226
ILE A 200
 None
 1.20A 5gpgA-3um6A:
undetectable		 5gpgA-3um6A:
11.99
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.
5H3A_A_D16A401_1
(ORF70)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 7 ILE A 403
ASP A 513
GLY A 517
TYR A 553
 None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.46A 5h3aA-3um6A:
40.6		 5h3aA-3um6A:
27.42
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.
5H3A_B_D16B401_1
(ORF70)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 7 ASP A 513
LEU A 516
GLY A 517
TYR A 553
 UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.66A 5h3aB-3um6A:
41.0		 5h3aB-3um6A:
27.42
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.
5H3A_B_D16B401_1
(ORF70)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 7 ILE A 403
ASP A 513
GLY A 517
TYR A 553
 None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.51A 5h3aB-3um6A:
41.0		 5h3aB-3um6A:
27.42
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.
5HI6_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ASP A  54
ILE A 112
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 (-2.9A)
1CY  A 609 (-4.4A)
None
None
None
 0.88A 5hi6A-3um6A:
19.9		 5hi6A-3um6A:
12.32
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.
5HI6_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ASP A  54
SER A 111
ILE A 112
ARG A 122
TYR A 170
 1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
None
None
 1.03A 5hi6A-3um6A:
19.9		 5hi6A-3um6A:
12.32
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.
5HI6_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ILE A  14
ASP A  54
LEU A 119
ARG A 122
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
None
None
None
1CY  A 609 (-4.3A)
 0.51A 5hi6A-3um6A:
19.9		 5hi6A-3um6A:
12.32
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.
5HI6_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ILE A  14
ASP A  54
SER A 111
ARG A 122
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
None
None
1CY  A 609 (-4.3A)
 0.68A 5hi6A-3um6A:
19.9		 5hi6A-3um6A:
12.32
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.
5HI6_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
ASP A  54
SER A 111
LEU A 119
ARG A 122
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.84A 5hi6B-3um6A:
19.8		 5hi6B-3um6A:
12.32
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.
5HI6_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 SER A 111
ILE A 112
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
None
None
None
 0.93A 5hi6B-3um6A:
19.8		 5hi6B-3um6A:
12.32
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.
5HW8_G_FK5G201_2
(FK506-BINDING
PROTEIN 1)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 11 TYR A 569
VAL A 210
ILE A 224
TYR A 226
ILE A 200
 None
 1.15A 5hw8G-3um6A:
undetectable		 5hw8G-3um6A:
12.99
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.
5HWC_A_FK5A201_1
(FK506-BINDING
PROTEIN 1A)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 11 TYR A 569
VAL A 210
ILE A 224
TYR A 226
ILE A 200
 None
 1.26A 5hwcA-3um6A:
undetectable		 5hwcA-3um6A:
11.15
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.
5J7W_C_MTXC402_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-4.5A)
 0.45A 5j7wC-3um6A:
35.8		 5j7wC-3um6A:
22.96
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.
5J7W_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
 UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-4.5A)
 0.43A 5j7wD-3um6A:
35.5		 5j7wD-3um6A:
22.96
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.
5J7W_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 GLU A 382
ASP A 513
LEU A 516
GLY A 517
TYR A 553
 None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.68A 5j7wD-3um6A:
35.5		 5j7wD-3um6A:
22.96
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.
5J7W_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 GLU A 382
LEU A 487
ASP A 513
LEU A 516
GLY A 517
 None
None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
 1.05A 5j7wD-3um6A:
35.5		 5j7wD-3um6A:
22.96
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.
5J7W_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 GLU A 382
TRP A 404
LEU A 487
LEU A 516
GLY A 517
 None
None
None
None
UMP  A 611 (-3.3A)
 1.05A 5j7wD-3um6A:
35.5		 5j7wD-3um6A:
22.96
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.
5KI6_A_IPHA901_0
(PROTEIN ARGONAUTE-2)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 5 LEU A  53
TYR A  57
LEU A 221
TYR A 214
 None
 1.24A 5ki6A-3um6A:
1.6		 5ki6A-3um6A:
18.38
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.
5M78_A_SALA304_1
(CARBONIC ANHYDRASE 2)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 7 HIS A 323
LEU A 369
THR A 370
THR A 371
 None
 0.94A 5m78A-3um6A:
undetectable		 5m78A-3um6A:
8.43
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.
5NOO_A_D16A402_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 7 ASP A 513
LEU A 516
GLY A 517
TYR A 553
 UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.73A 5nooA-3um6A:
39.6		 5nooA-3um6A:
28.74
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.
5NOO_A_D16A402_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 7 ILE A 403
ASP A 513
GLY A 517
TYR A 553
 None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.49A 5nooA-3um6A:
39.6		 5nooA-3um6A:
28.74
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.
5NOO_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 7 ASP A 513
LEU A 516
GLY A 517
TYR A 553
 UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.72A 5nooB-3um6A:
39.3		 5nooB-3um6A:
28.74
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.
5NOO_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 7 ILE A 403
ASP A 513
GLY A 517
TYR A 553
 None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.46A 5nooB-3um6A:
39.3		 5nooB-3um6A:
28.74
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.
5NOO_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 6 ASP A 513
LEU A 516
GLY A 517
TYR A 553
 UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.72A 5nooC-3um6A:
21.3		 5nooC-3um6A:
28.74
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.
5UIH_A_8CVA201_1
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 8 ILE A  14
ASP A  54
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.25A 5uihA-3um6A:
19.1		 5uihA-3um6A:
7.71
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.
5UJX_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
PHE A  58
THR A 108
LEU A 119
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.50A 5ujxA-3um6A:
19.6		 5ujxA-3um6A:
13.05
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.
5UJX_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 THR A 108
ILE A 112
LEU A 119
ILE A 164
TYR A 170
THR A 185
 NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.82A 5ujxA-3um6A:
19.6		 5ujxA-3um6A:
13.05
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.
5UJX_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
PHE A  58
THR A 108
LEU A 119
ARG A 122
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.41A 5ujxB-3um6A:
19.7		 5ujxB-3um6A:
13.05
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.
5X5Q_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ASP A 513
LEU A 516
GLY A 517
TYR A 553
MET A 604
 UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
None
 0.94A 5x5qB-3um6A:
41.1		 5x5qB-3um6A:
27.77
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.
5X5Q_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 GLU A 382
ASP A 513
LEU A 516
GLY A 517
TYR A 553
 None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.75A 5x5qB-3um6A:
41.1		 5x5qB-3um6A:
27.77
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.
5X5Q_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 GLU A 382
ILE A 403
ASP A 513
GLY A 517
TYR A 553
 None
None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.66A 5x5qB-3um6A:
41.1		 5x5qB-3um6A:
27.77
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.
5X5Q_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 7 ASP A 513
LEU A 516
GLY A 517
TYR A 553
 UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.63A 5x5qC-3um6A:
40.3		 5x5qC-3um6A:
27.77
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.
5X5Q_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 7 ILE A 403
ASP A 513
GLY A 517
TYR A 553
 None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.48A 5x5qC-3um6A:
40.3		 5x5qC-3um6A:
27.77
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.
5X5Q_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 8 ASP A 513
LEU A 516
GLY A 517
TYR A 553
 UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.63A 5x5qD-3um6A:
40.4		 5x5qD-3um6A:
27.77
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.
5X5Q_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 8 ILE A 403
ASP A 513
GLY A 517
TYR A 553
 None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.51A 5x5qD-3um6A:
40.4		 5x5qD-3um6A:
27.77
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.
5X5Q_E_D16E402_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 6 ASP A 513
LEU A 516
GLY A 517
TYR A 553
 UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.61A 5x5qE-3um6A:
40.4		 5x5qE-3um6A:
27.77
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.
5X5Q_E_D16E402_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 6 ILE A 403
ASP A 513
GLY A 517
TYR A 553
 None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.50A 5x5qE-3um6A:
40.4		 5x5qE-3um6A:
27.77
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.
5X5Q_F_D16F402_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 8 ASP A 513
LEU A 516
GLY A 517
TYR A 553
 UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.63A 5x5qF-3um6A:
40.4		 5x5qF-3um6A:
27.77
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.
5X5Q_F_D16F402_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 8 ILE A 403
ASP A 513
GLY A 517
TYR A 553
 None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.53A 5x5qF-3um6A:
40.4		 5x5qF-3um6A:
27.77
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.
5X66_A_MTXA402_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ILE A 403
ASP A 513
LEU A 516
GLY A 517
ASN A 521
TYR A 553
 None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-2.8A)
UMP  A 611 (-4.5A)
 0.43A 5x66A-3um6A:
41.6
5x66B-3um6A:
18.9		 5x66A-3um6A:
27.77
5x66B-3um6A:
27.77
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.
5X66_C_MTXC402_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 9 ILE A 403
ASP A 513
LEU A 516
GLY A 517
ASN A 521
TYR A 553
 None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-2.8A)
UMP  A 611 (-4.5A)
 0.55A 5x66C-3um6A:
41.6		 5x66C-3um6A:
27.77
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.
5X66_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 10 ILE A 403
ASP A 513
GLY A 517
ASN A 521
TYR A 553
 None
UMP  A 611 (-4.9A)
UMP  A 611 (-3.3A)
UMP  A 611 (-2.8A)
UMP  A 611 (-4.5A)
 0.44A 5x66D-3um6A:
41.4		 5x66D-3um6A:
27.77
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.
5X66_F_MTXF402_1
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 LYS A 372
ILE A 403
ASP A 513
LEU A 516
GLY A 517
TYR A 553
 None
None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-4.5A)
 0.60A 5x66F-3um6A:
41.5		 5x66F-3um6A:
27.77
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.
5YW0_A_ACTA410_0
(UNCHARACTERIZED
PROTEIN KDOO)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 4 GLY A 105
LEU A 127
VAL A 169
GLU A 172
 NDP  A 610 (-3.2A)
NDP  A 610 (-3.9A)
NDP  A 610 (-4.2A)
NDP  A 610 (-2.9A)
 1.35A 5yw0A-3um6A:
undetectable		 5yw0A-3um6A:
19.45
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.
5Z6F_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ILE A  14
PHE A  58
THR A 108
ARG A 122
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
None
1CY  A 609 (-4.3A)
 0.36A 5z6fA-3um6A:
21.1		 5z6fA-3um6A:
13.05
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.
5Z6J_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
PHE A  58
THR A 108
LEU A 119
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.38A 5z6jA-3um6A:
20.9		 5z6jA-3um6A:
13.05
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.
5Z6J_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 THR A 108
ILE A 112
LEU A 119
ILE A 164
THR A 185
 NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
1CY  A 609 ( 4.0A)
1CY  A 609 (-4.3A)
 0.84A 5z6jA-3um6A:
20.9		 5z6jA-3um6A:
13.05
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.
5Z6K_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
PHE A  58
THR A 108
LEU A 119
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.40A 5z6kA-3um6A:
20.7		 5z6kA-3um6A:
13.05
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.
5Z6M_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 11 ASP A  54
PHE A  58
LEU A 119
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.85A 5z6mA-3um6A:
20.1		 5z6mA-3um6A:
13.05
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.
5Z6M_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 11 ILE A  14
PHE A  58
LEU A 119
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.63A 5z6mA-3um6A:
20.1		 5z6mA-3um6A:
13.05
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.
6AOG_A_CP6A704_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 10 ASP A  54
PHE A  58
THR A 108
TYR A 170
THR A 185
 1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
1CY  A 609 (-4.3A)
 0.42A 6aogA-3um6A:
42.0		 6aogA-3um6A:
8.73
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.
6AOG_B_CP6B704_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 10 ASP A  54
PHE A  58
THR A 108
TYR A 170
THR A 185
 1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
1CY  A 609 (-4.3A)
 0.43A 6aogB-3um6A:
42.0		 6aogB-3um6A:
8.73
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.
6BC9_A_ETSA302_2
(CARBONIC ANHYDRASE 2)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 5 HIS A 598
GLU A 325
HIS A 323
VAL A 210
 None
 1.15A 6bc9A-3um6A:
undetectable		 6bc9A-3um6A:
9.41
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.
6BRD_B_RFPB502_2
(RIFAMPIN
MONOOXYGENASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 6 GLN A 327
LEU A 369
ARG A 566
PRO A 568
 None
 1.24A 6brdB-3um6A:
undetectable		 6brdB-3um6A:
7.89
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.
6D9K_F_ACTF802_0
(UNCHARACTERIZED
PROTEIN)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		3 / 3 TYR A 205
ALA A  13
LEU A 174
 None
 0.74A 6d9kF-3um6A:
2.1		 6d9kF-3um6A:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DM0_D_CYZD1302_0
(GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 9 PRO A  47
GLY A  39
SER A 189
LEU A 221
ASP A 222
 None
 1.35A 6dm0A-3um6A:
2.2
6dm0D-3um6A:
3.2		 6dm0A-3um6A:
9.96
6dm0D-3um6A:
9.96
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.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ILE A 126
LEU A 149
GLY A 165
ILE A 112
LEU A 119
 None
None
NDP  A 610 (-3.4A)
1CY  A 609 (-4.4A)
None
 1.15A 6dwnC-3um6A:
undetectable		 6dwnC-3um6A:
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.
6ECX_A_SAMA1301_1
(STIE PROTEIN)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		4 / 5 THR A 215
THR A 592
GLN A 594
ASP A 590
 None
 1.45A 6ecxA-3um6A:
1.7		 6ecxA-3um6A:
20.55
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.
6MKE_A_FK5A201_0
(PEPTIDYLPROLYL
ISOMERASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 TYR A 569
VAL A 210
ILE A 224
TYR A 226
ILE A 200
 None
 1.23A 6mkeA-3um6A:
undetectable
6mkeD-3um6A:
undetectable		 6mkeA-3um6A:
7.93
6mkeD-3um6A:
7.93
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.
6MKE_B_FK5B201_0
(PEPTIDYLPROLYL
ISOMERASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 TYR A 569
VAL A 210
ILE A 224
TYR A 226
ILE A 200
 None
 1.23A 6mkeB-3um6A:
undetectable
6mkeC-3um6A:
undetectable		 6mkeB-3um6A:
7.93
6mkeC-3um6A:
7.93
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.
6MKE_C_FK5C201_1
(PEPTIDYLPROLYL
ISOMERASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 10 TYR A 569
VAL A 210
ILE A 224
TYR A 226
ILE A 200
 None
 1.17A 6mkeC-3um6A:
undetectable		 6mkeC-3um6A:
7.93
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.
6MKE_D_FK5D201_1
(PEPTIDYLPROLYL
ISOMERASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 10 TYR A 569
VAL A 210
ILE A 224
TYR A 226
ILE A 200
 None
 1.22A 6mkeD-3um6A:
undetectable		 6mkeD-3um6A:
7.93
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.
6QXS_B_FOZB403_0
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 LEU A 516
GLY A 517
PHE A 520
ASN A 521
TYR A 553
 None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-2.8A)
UMP  A 611 (-4.5A)
 0.52A 6qxsB-3um6A:
35.0		 6qxsB-3um6A:
22.96
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.
6QXS_B_FOZB403_0
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 TRP A 404
LEU A 487
LEU A 516
GLY A 517
ASN A 521
 None
None
None
UMP  A 611 (-3.3A)
UMP  A 611 (-2.8A)
 1.03A 6qxsB-3um6A:
35.0		 6qxsB-3um6A:
22.96
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.
6QYA_D_FOZD401_0
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 LEU A 516
GLY A 517
PHE A 520
ASN A 521
TYR A 553
 None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-2.8A)
UMP  A 611 (-4.5A)
 0.45A 6qyaD-3um6A:
35.0		 6qyaD-3um6A:
22.96
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.
6R2E_A_FFOA403_0
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ASP A 513
LEU A 516
GLY A 517
PHE A 520
ASN A 521
TYR A 553
 UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-2.8A)
UMP  A 611 (-4.5A)
 0.43A 6r2eA-3um6A:
40.7		 6r2eA-3um6A:
28.95
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.
6R2E_A_FFOA403_0
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ILE A 403
ASN A 407
LEU A 487
GLY A 517
ASN A 521
 None
None
None
UMP  A 611 (-3.3A)
UMP  A 611 (-2.8A)
 1.03A 6r2eA-3um6A:
40.7		 6r2eA-3um6A:
28.95
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.
6R2E_A_FFOA403_0
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ILE A 403
TRP A 404
ASN A 407
LEU A 487
ASN A 521
 None
None
None
None
UMP  A 611 (-2.8A)
 0.88A 6r2eA-3um6A:
40.7		 6r2eA-3um6A:
28.95
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.
6R2E_B_FFOB403_0
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 10 ILE A 403
ASN A 407
LEU A 487
GLY A 517
ASN A 521
 None
None
None
UMP  A 611 (-3.3A)
UMP  A 611 (-2.8A)
 1.04A 6r2eB-3um6A:
40.6		 6r2eB-3um6A:
28.95
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.
6R2E_B_FFOB403_0
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 10 ILE A 403
TRP A 404
ASN A 407
LEU A 487
ASN A 521
 None
None
None
None
UMP  A 611 (-2.8A)
 0.79A 6r2eB-3um6A:
40.6		 6r2eB-3um6A:
28.95
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.
6R2E_C_FFOC404_0
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 10 ILE A 403
TRP A 404
ASN A 407
LEU A 487
ASN A 521
 None
None
None
None
UMP  A 611 (-2.8A)
 0.94A 6r2eC-3um6A:
40.8		 6r2eC-3um6A:
28.95
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.
6R2E_C_FFOC404_0
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 10 PHE A 375
ASP A 513
LEU A 516
GLY A 517
ASN A 521
 None
UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
UMP  A 611 (-2.8A)
 1.14A 6r2eC-3um6A:
40.8		 6r2eC-3um6A:
28.95
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.
6R2E_D_FFOD403_0
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 10 ASN A 407
LEU A 487
LEU A 516
GLY A 517
ASN A 521
 None
None
None
UMP  A 611 (-3.3A)
UMP  A 611 (-2.8A)
 0.98A 6r2eD-3um6A:
40.4		 6r2eD-3um6A:
28.95
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.
6R2E_D_FFOD403_0
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 10 ILE A 403
ASN A 407
LEU A 487
GLY A 517
ASN A 521
 None
None
None
UMP  A 611 (-3.3A)
UMP  A 611 (-2.8A)
 1.05A 6r2eD-3um6A:
40.4		 6r2eD-3um6A:
28.95
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.
6R2E_D_FFOD403_0
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 10 ILE A 403
TRP A 404
ASN A 407
LEU A 487
ASN A 521
 None
None
None
None
UMP  A 611 (-2.8A)
 0.83A 6r2eD-3um6A:
40.4		 6r2eD-3um6A:
28.95
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.
6R2E_E_FFOE403_0
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ILE A 403
ASN A 407
TYR A 430
LEU A 487
GLY A 517
ASN A 521
 None
None
None
None
UMP  A 611 (-3.3A)
UMP  A 611 (-2.8A)
 1.09A 6r2eE-3um6A:
40.7		 6r2eE-3um6A:
28.95
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.
6R2E_E_FFOE403_0
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ILE A 403
TRP A 404
ASN A 407
TYR A 430
LEU A 487
ASN A 521
 None
None
None
None
None
UMP  A 611 (-2.8A)
 0.92A 6r2eE-3um6A:
40.7		 6r2eE-3um6A:
28.95
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.
6R2E_E_FFOE403_0
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 PHE A 375
LEU A 516
GLY A 517
PHE A 520
ASN A 521
 None
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-2.8A)
 1.12A 6r2eE-3um6A:
40.7		 6r2eE-3um6A:
28.95
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.
6R2E_E_FFOE403_0
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 TYR A 430
LEU A 487
LEU A 516
GLY A 517
ASN A 521
 None
None
None
UMP  A 611 (-3.3A)
UMP  A 611 (-2.8A)
 0.98A 6r2eE-3um6A:
40.7		 6r2eE-3um6A:
28.95
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.
6R2E_F_FFOF403_0
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 11 ILE A 403
TRP A 404
ASN A 407
LEU A 487
ASN A 521
 None
None
None
None
UMP  A 611 (-2.8A)
 0.92A 6r2eF-3um6A:
40.6		 6r2eF-3um6A:
28.95
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.
6R2E_G_FFOG403_0
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 11 ASN A 407
LEU A 516
GLY A 517
PHE A 520
ASN A 521
 None
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-2.8A)
 0.77A 6r2eG-3um6A:
40.7		 6r2eG-3um6A:
28.95
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.
6R2E_G_FFOG403_0
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 11 ASP A 513
LEU A 516
GLY A 517
PHE A 520
ASN A 521
 UMP  A 611 (-4.9A)
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-2.8A)
 0.41A 6r2eG-3um6A:
40.7		 6r2eG-3um6A:
28.95
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.
6R2E_G_FFOG403_0
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 11 ILE A 403
TRP A 404
ASN A 407
LEU A 487
ASN A 521
 None
None
None
None
UMP  A 611 (-2.8A)
 0.89A 6r2eG-3um6A:
40.7		 6r2eG-3um6A:
28.95
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.
6R2E_G_FFOG403_0
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 11 PHE A 375
LEU A 516
GLY A 517
PHE A 520
ASN A 521
 None
None
UMP  A 611 (-3.3A)
None
UMP  A 611 (-2.8A)
 1.16A 6r2eG-3um6A:
40.7		 6r2eG-3um6A:
28.95
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.
6R2E_H_FFOH403_0
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		5 / 12 ILE A 403
ASN A 407
LEU A 487
GLY A 517
ASN A 521
 None
None
None
UMP  A 611 (-3.3A)
UMP  A 611 (-2.8A)
 0.97A 6r2eH-3um6A:
40.6		 6r2eH-3um6A:
28.95
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.
6R2E_H_FFOH403_0
(THYMIDYLATE SYNTHASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		6 / 12 ILE A 403
TRP A 404
ASN A 407
TYR A 430
LEU A 487
ASN A 521
 None
None
None
None
None
UMP  A 611 (-2.8A)
 0.83A 6r2eH-3um6A:
40.6		 6r2eH-3um6A:
28.95
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.
7DFR_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE
(Plasmodium
falciparum) 		7 / 12 ILE A  14
PHE A  58
THR A 108
LEU A 119
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.52A 7dfrA-3um6A:
20.7		 7dfrA-3um6A:
13.05