SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'MMV'


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.
1AO8_A_MTXA170_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ALA A   8
ASP A  28
LEU A  29
PHE A  32
THR A  47
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.4A)
 0.74A 1ao8A-6cxmA:
19.6		 1ao8A-6cxmA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AO8_A_MTXA170_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ALA A   8
ASP A  28
PHE A  32
THR A  47
SER A  50
ARG A  61
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
NAP  A 201 ( 3.9A)
MMV  A 202 (-2.8A)
 1.00A 1ao8A-6cxmA:
19.6		 1ao8A-6cxmA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AO8_A_MTXA170_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ALA A   8
ASP A  28
PHE A  32
THR A  47
SER A  50
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
NAP  A 201 ( 3.9A)
MMV  A 202 (-4.4A)
 0.76A 1ao8A-6cxmA:
19.6		 1ao8A-6cxmA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AO8_A_MTXA170_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 PHE A  32
THR A  47
SER A  50
LEU A  58
ARG A  61
 MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
NAP  A 201 ( 3.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
 0.96A 1ao8A-6cxmA:
19.6		 1ao8A-6cxmA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AO8_A_MTXA170_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		5 / 12 ALA A   7
ASP A  27
LEU A  28
THR A  46
ARG A  57
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
None
 0.94A 1ao8A-6e4eA:
21.7		 1ao8A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AO8_A_MTXA170_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		6 / 12 LEU A   5
ALA A   7
ASP A  27
LEU A  28
THR A  46
THR A 111
 MMV  A 202 (-4.2A)
MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 (-4.3A)
 0.45A 1ao8A-6e4eA:
21.7		 1ao8A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AO8_A_MTXA170_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		6 / 12 LEU A   5
ALA A   7
ASP A  27
THR A  46
SER A  49
THR A 111
 MMV  A 202 (-4.2A)
MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
NAP  A 201 ( 3.3A)
NAP  A 201 (-4.2A)
MMV  A 202 (-4.3A)
 0.65A 1ao8A-6e4eA:
21.7		 1ao8A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1BZF_A_TMQA170_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A   8
ASP A  28
PHE A  32
THR A  47
LEU A  58
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
 0.83A 1bzfA-6cxmA:
19.3		 1bzfA-6cxmA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1BZF_A_TMQA170_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		6 / 12 LEU A   5
ALA A   7
ASP A  27
LEU A  28
THR A  46
THR A 111
 MMV  A 202 (-4.2A)
MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 (-4.3A)
 0.86A 1bzfA-6e4eA:
20.9		 1bzfA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1BZF_A_TMQA170_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		6 / 12 LEU A   5
ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A 111
 MMV  A 202 (-4.2A)
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.3A)
 1.00A 1bzfA-6e4eA:
20.9		 1bzfA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1CD2_A_FOLA307_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		10 / 12 ILE A   6
ALA A   8
PHE A  32
LYS A  33
THR A  47
PRO A  52
LEU A  58
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.41A 1cd2A-6cxmA:
19.1		 1cd2A-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1CD2_A_FOLA307_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		5 / 12 ALA A   7
LEU A  20
THR A  46
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
NAP  A 201 ( 3.3A)
None
MMV  A 202 (-4.3A)
 0.69A 1cd2A-6e4eA:
19.5		 1cd2A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1D1G_A_MTXA171_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ALA A   8
ASP A  28
LEU A  58
ARG A  61
ILE A  92
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
MMV  A 202 (-4.4A)
 0.44A 1d1gA-6cxmA:
16.8		 1d1gA-6cxmA:
29.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1D1G_A_MTXA171_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		6 / 12 ALA A   7
ASP A  27
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.46A 1d1gA-6e4eA:
18.9		 1d1gA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1D1G_B_MTXB171_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ALA A   8
ASP A  28
LEU A  58
ARG A  61
ILE A  92
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
MMV  A 202 (-4.4A)
 0.42A 1d1gB-6cxmA:
16.8		 1d1gB-6cxmA:
29.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1D1G_B_MTXB171_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		6 / 12 ALA A   7
ASP A  27
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.42A 1d1gB-6e4eA:
19.0		 1d1gB-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DDR_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
ASP A  28
LEU A  29
THR A  47
LEU A  58
ARG A  61
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 0.86A 1ddrA-6cxmA:
20.2		 1ddrA-6cxmA:
30.00
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.
1DDR_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
ALA A   8
ASP A  28
LEU A  29
THR A  47
SER A  50
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
NAP  A 201 (-3.3A)
NAP  A 201 ( 3.9A)
None
 0.93A 1ddrA-6cxmA:
20.2		 1ddrA-6cxmA:
30.00
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.
1DDR_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
ASP A  28
LYS A  33
THR A  47
LEU A  58
ARG A  61
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 0.61A 1ddrA-6cxmA:
20.2		 1ddrA-6cxmA:
30.00
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.
1DDR_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
ALA A   8
ASP A  28
LYS A  33
THR A  47
SER A  50
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
NAP  A 201 ( 3.9A)
None
 0.72A 1ddrA-6cxmA:
20.2		 1ddrA-6cxmA:
30.00
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.
1DDR_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		8 / 12 ALA A   7
ASP A  27
LEU A  28
THR A  46
SER A  49
ILE A  50
LEU A  54
ARG A  57
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
 0.71A 1ddrA-6e4eA:
23.9		 1ddrA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DDR_B_MTXB200_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
ASP A  28
LEU A  29
PHE A  32
LEU A  58
ARG A  61
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.66A 1ddrB-6cxmA:
20.2		 1ddrB-6cxmA:
30.00
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.
1DDR_B_MTXB200_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
ASP A  28
PHE A  32
LYS A  33
LEU A  58
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.4A)
 0.66A 1ddrB-6cxmA:
20.2		 1ddrB-6cxmA:
30.00
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.
1DDR_B_MTXB200_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		7 / 12 ALA A   7
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.49A 1ddrB-6e4eA:
24.2		 1ddrB-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DDS_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
ASP A  28
LEU A  29
LEU A  58
ARG A  61
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.73A 1ddsA-6cxmA:
20.5		 1ddsA-6cxmA:
30.00
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.
1DDS_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
ASP A  28
LYS A  33
THR A  47
LEU A  58
ARG A  61
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.52A 1ddsA-6cxmA:
20.5		 1ddsA-6cxmA:
30.00
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.
1DDS_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		8 / 12 ALA A   7
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.58A 1ddsA-6e4eA:
24.1		 1ddsA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DDS_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
ASP A  28
LEU A  29
SER A  50
LEU A  58
ARG A  61
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
NAP  A 201 ( 3.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.69A 1ddsB-6cxmA:
20.6		 1ddsB-6cxmA:
30.00
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.
1DDS_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
ASP A  28
LYS A  33
SER A  50
LEU A  58
ARG A  61
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.6A)
NAP  A 201 ( 3.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.61A 1ddsB-6cxmA:
20.6		 1ddsB-6cxmA:
30.00
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.
1DDS_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		7 / 12 ALA A   7
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.51A 1ddsB-6e4eA:
24.6		 1ddsB-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DDS_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		7 / 12 ALA A   7
ASP A  27
LEU A  28
SER A  49
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.71A 1ddsB-6e4eA:
24.6		 1ddsB-6e4eA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DF7_A_MTXA501_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		11 / 12 ILE A   6
ALA A   8
ILE A  21
ASP A  28
LEU A  51
PRO A  52
VAL A  55
LEU A  58
ARG A  61
ILE A  92
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
NAP  A 201 (-3.8A)
MMV  A 202 (-2.9A)
None
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.8A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
 0.48A 1df7A-6cxmA:
27.2		 1df7A-6cxmA:
46.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DG5_A_TOPA201_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		11 / 11 ILE A   6
TRP A   7
ALA A   8
ILE A  21
ASP A  28
PHE A  32
SER A  50
LEU A  51
PRO A  52
ILE A  92
TYR A  98
 MMV  A 202 (-4.0A)
None
NAP  A 201 (-3.9A)
NAP  A 201 (-3.8A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 ( 3.9A)
None
MMV  A 202 ( 4.6A)
MMV  A 202 ( 4.2A)
None
 0.64A 1dg5A-6cxmA:
27.0		 1dg5A-6cxmA:
46.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DG5_A_TOPA201_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 11 TRP A   7
ALA A   8
ASP A  28
LEU A  58
ILE A  92
TYR A  98
 None
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
 1.27A 1dg5A-6cxmA:
27.0		 1dg5A-6cxmA:
46.79
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.
1DHF_A_FOLA187_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
PHE A  32
THR A  47
PRO A  52
LEU A  58
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.4A)
 0.43A 1dhfA-6cxmA:
20.3		 1dhfA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DHF_A_FOLA187_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		5 / 12 ALA A   7
THR A  46
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.76A 1dhfA-6e4eA:
20.4		 1dhfA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DHF_B_FOLB187_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
PHE A  32
THR A  47
LEU A  58
ARG A  61
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.42A 1dhfB-6cxmA:
20.5		 1dhfB-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DHF_B_FOLB187_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		6 / 12 ALA A   7
THR A  46
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.78A 1dhfB-6e4eA:
20.4		 1dhfB-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DHI_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
LEU A  29
LEU A  58
ARG A  61
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.67A 1dhiA-6cxmA:
20.5		 1dhiA-6cxmA:
29.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DHI_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
ALA A   8
LEU A  29
SER A  50
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-4.7A)
NAP  A 201 ( 3.9A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.88A 1dhiA-6cxmA:
20.5		 1dhiA-6cxmA:
29.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DHI_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
LYS A  33
LEU A  58
ARG A  61
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.52A 1dhiA-6cxmA:
20.5		 1dhiA-6cxmA:
29.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DHI_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		7 / 12 ALA A   7
LEU A  28
SER A  49
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.68A 1dhiA-6e4eA:
24.0		 1dhiA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DHI_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 11 ILE A   6
ALA A   8
LEU A  29
LEU A  58
ARG A  61
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.71A 1dhiB-6cxmA:
20.8		 1dhiB-6cxmA:
29.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DHI_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 11 ILE A   6
ALA A   8
LYS A  33
LEU A  58
ARG A  61
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.51A 1dhiB-6cxmA:
20.8		 1dhiB-6cxmA:
29.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DHI_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		6 / 11 ALA A   7
LEU A  28
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.55A 1dhiB-6e4eA:
24.7		 1dhiB-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DHJ_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
LEU A  29
LEU A  58
ARG A  61
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.72A 1dhjA-6cxmA:
20.4		 1dhjA-6cxmA:
29.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DHJ_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
ALA A   8
LEU A  29
SER A  50
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-4.7A)
NAP  A 201 ( 3.9A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.90A 1dhjA-6cxmA:
20.4		 1dhjA-6cxmA:
29.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DHJ_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
LYS A  33
LEU A  58
ARG A  61
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.53A 1dhjA-6cxmA:
20.4		 1dhjA-6cxmA:
29.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DHJ_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		7 / 12 ALA A   7
LEU A  28
SER A  49
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.72A 1dhjA-6e4eA:
24.1		 1dhjA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DHJ_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
LEU A  29
LEU A  58
PRO A  59
ARG A  61
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.6A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.71A 1dhjB-6cxmA:
20.8		 1dhjB-6cxmA:
29.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DHJ_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
LYS A  33
LEU A  58
PRO A  59
ARG A  61
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.6A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.52A 1dhjB-6cxmA:
20.8		 1dhjB-6cxmA:
29.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DHJ_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		7 / 12 ALA A   7
LEU A  28
ILE A  50
LEU A  54
PRO A  55
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
None
MMV  A 202 (-4.3A)
 0.56A 1dhjB-6e4eA:
24.6		 1dhjB-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DLS_A_MTXA188_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
ALA A   8
SER A  50
PRO A  52
LEU A  58
ARG A  61
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
NAP  A 201 ( 3.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 0.46A 1dlsA-6cxmA:
20.4		 1dlsA-6cxmA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DRA_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
ALA A   8
LEU A  29
LEU A  58
ARG A  61
ILE A  92
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
 0.74A 1draA-6cxmA:
20.5		 1draA-6cxmA:
29.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DRA_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ILE A   6
ALA A   8
LEU A  29
SER A  50
ILE A  92
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-4.7A)
NAP  A 201 ( 3.9A)
MMV  A 202 ( 4.2A)
None
 0.98A 1draA-6cxmA:
20.5		 1draA-6cxmA:
29.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DRA_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
ALA A   8
LYS A  33
LEU A  58
ARG A  61
ILE A  92
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
 0.56A 1draA-6cxmA:
20.5		 1draA-6cxmA:
29.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DRA_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		6 / 12 ALA A   7
LEU A  28
SER A  49
ILE A  50
LEU A  54
ARG A  57
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
 0.73A 1draA-6e4eA:
24.1		 1draA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DRA_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
LYS A  33
LEU A  58
ARG A  61
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.52A 1draB-6cxmA:
20.8		 1draB-6cxmA:
29.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DRA_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
LEU A  29
LEU A  58
ARG A  61
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.75A 1draB-6cxmA:
20.8		 1draB-6cxmA:
29.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DRA_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		6 / 12 ALA A   7
LEU A  28
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.56A 1draB-6e4eA:
24.7		 1draB-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DRB_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
LEU A  29
LEU A  58
ARG A  61
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.72A 1drbA-6cxmA:
20.4		 1drbA-6cxmA:
29.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DRB_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
ALA A   8
LEU A  29
SER A  50
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-4.7A)
NAP  A 201 ( 3.9A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.92A 1drbA-6cxmA:
20.4		 1drbA-6cxmA:
29.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DRB_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
LYS A  33
LEU A  58
ARG A  61
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.57A 1drbA-6cxmA:
20.4		 1drbA-6cxmA:
29.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DRB_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		7 / 12 ALA A   7
LEU A  28
SER A  49
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.71A 1drbA-6e4eA:
24.1		 1drbA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DRB_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
LEU A  29
PHE A  32
LEU A  58
ARG A  61
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.69A 1drbB-6cxmA:
20.7		 1drbB-6cxmA:
29.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DRB_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
PHE A  32
LYS A  33
LEU A  58
ARG A  61
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.55A 1drbB-6cxmA:
20.7		 1drbB-6cxmA:
29.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DRB_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		6 / 12 ALA A   7
LEU A  28
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.56A 1drbB-6e4eA:
24.6		 1drbB-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DRE_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ALA A   8
ASP A  28
PHE A  32
LYS A  33
SER A  50
LEU A  58
ARG A  61
TYR A  98
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 ( 3.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 0.65A 1dreA-6cxmA:
21.4		 1dreA-6cxmA:
30.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DRE_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ASP A  28
LEU A  29
PHE A  32
LEU A  58
ARG A  61
 MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
 0.99A 1dreA-6cxmA:
21.4		 1dreA-6cxmA:
30.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DRE_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		6 / 12 ALA A   7
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
 0.58A 1dreA-6e4eA:
25.5		 1dreA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DRF_A_FOLA187_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
ALA A   8
PHE A  32
SER A  50
PRO A  52
LEU A  58
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
NAP  A 201 ( 3.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
None
 0.54A 1drfA-6cxmA:
20.1		 1drfA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DYI_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
ASP A  28
LEU A  29
PHE A  32
LEU A  58
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.4A)
 0.73A 1dyiA-6cxmA:
20.5		 1dyiA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DYI_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
ASP A  28
PHE A  32
LYS A  33
THR A  47
LEU A  58
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.4A)
 0.51A 1dyiA-6cxmA:
20.5		 1dyiA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DYI_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		7 / 12 ALA A   7
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.60A 1dyiA-6e4eA:
24.2		 1dyiA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DYI_B_FOLB161_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
ASP A  28
PHE A  32
LYS A  33
THR A  47
LEU A  58
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.4A)
 0.47A 1dyiB-6cxmA:
20.7		 1dyiB-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DYI_B_FOLB161_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
ASP A  28
LEU A  29
PHE A  32
THR A  47
LEU A  58
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.4A)
 0.79A 1dyiB-6cxmA:
20.7		 1dyiB-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DYI_B_FOLB161_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		7 / 12 ALA A   7
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.59A 1dyiB-6e4eA:
24.6		 1dyiB-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DYI_B_FOLB161_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		5 / 12 ALA A   7
ASP A  27
THR A  46
LEU A  40
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
NAP  A 201 ( 3.3A)
None
MMV  A 202 (-4.3A)
 1.09A 1dyiB-6e4eA:
24.6		 1dyiB-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DYR_A_TOPA407_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 11 ILE A   6
ALA A   8
PHE A  32
PRO A  52
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.30A 1dyrA-6cxmA:
19.0		 1dyrA-6cxmA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1J3J_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 10 ILE A   6
ALA A   8
ASP A  28
PHE A  32
SER A  50
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 ( 3.9A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.35A 1j3jA-6cxmA:
18.8		 1j3jA-6cxmA:
13.43
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.
1J3J_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 9 ALA A   8
ASP A  28
PHE A  32
SER A  50
ILE A  92
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 ( 3.9A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.34A 1j3jB-6cxmA:
18.4		 1j3jB-6cxmA:
13.43
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.
1J3J_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6e4e -
(-) 		5 / 9 ALA A   7
ASP A  27
SER A  49
ILE A  50
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
MMV  A 202 (-4.3A)
 0.83A 1j3jB-6e4eA:
20.4		 1j3jB-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JOL_A_FFOA161_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A   8
ASP A  28
LEU A  51
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
None
None
MMV  A 202 (-4.4A)
 1.19A 1jolA-6cxmA:
20.5		 1jolA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JOL_A_FFOA161_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
ASP A  28
PHE A  32
LYS A  33
LEU A  58
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.4A)
 0.51A 1jolA-6cxmA:
20.5		 1jolA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JOL_A_FFOA161_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
ASP A  28
LEU A  29
PHE A  32
LEU A  58
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.4A)
 0.83A 1jolA-6cxmA:
20.5		 1jolA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JOL_A_FFOA161_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		6 / 12 ALA A   7
ASP A  27
LEU A  28
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.55A 1jolA-6e4eA:
24.3		 1jolA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JOL_B_FFOB361_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
ASP A  28
PHE A  32
LYS A  33
LEU A  58
PRO A  59
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.6A)
None
MMV  A 202 (-4.4A)
 0.55A 1jolB-6cxmA:
20.8		 1jolB-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JOL_B_FFOB361_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
ASP A  28
LEU A  29
PHE A  32
LEU A  58
PRO A  59
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.6A)
MMV  A 202 (-4.4A)
 0.83A 1jolB-6cxmA:
20.8		 1jolB-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JOL_B_FFOB361_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		7 / 12 ALA A   7
ASP A  27
LEU A  28
ILE A  50
LEU A  54
PRO A  55
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.50A 1jolB-6e4eA:
24.7		 1jolB-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JOM_A_FFOA161_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 11 ALA A   8
ASP A  28
LEU A  29
PHE A  32
LEU A  58
ARG A  61
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.75A 1jomA-6cxmA:
20.0		 1jomA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JOM_A_FFOA161_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 11 ALA A   8
ASP A  28
PHE A  32
LYS A  33
LEU A  58
ARG A  61
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.49A 1jomA-6cxmA:
20.0		 1jomA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JOM_A_FFOA161_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		7 / 11 ALA A   7
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.57A 1jomA-6e4eA:
23.7		 1jomA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QZF_A_FOLA605_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A   8
ASP A  28
LEU A  29
LEU A  58
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.4A)
 0.90A 1qzfA-6cxmA:
12.4		 1qzfA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QZF_A_FOLA605_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ALA A   8
ASP A  28
THR A  47
LEU A  58
ARG A  61
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.53A 1qzfA-6cxmA:
12.4		 1qzfA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QZF_A_FOLA605_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6e4e -
(-) 		9 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.64A 1qzfA-6e4eA:
12.9		 1qzfA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QZF_B_FOLB609_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A   8
ASP A  28
LEU A  29
LEU A  58
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.4A)
 0.90A 1qzfB-6cxmA:
19.1		 1qzfB-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QZF_B_FOLB609_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ALA A   8
ASP A  28
THR A  47
LEU A  58
ARG A  61
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.53A 1qzfB-6cxmA:
19.1		 1qzfB-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QZF_B_FOLB609_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6e4e -
(-) 		9 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.64A 1qzfB-6e4eA:
20.9		 1qzfB-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QZF_C_FOLC613_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A   8
ASP A  28
LEU A  29
LEU A  58
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.4A)
 0.90A 1qzfC-6cxmA:
13.0		 1qzfC-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QZF_C_FOLC613_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ALA A   8
ASP A  28
THR A  47
LEU A  58
ARG A  61
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.53A 1qzfC-6cxmA:
13.0		 1qzfC-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QZF_C_FOLC613_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6e4e -
(-) 		9 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.65A 1qzfC-6e4eA:
13.5		 1qzfC-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QZF_D_FOLD617_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A   8
ASP A  28
LEU A  29
LEU A  58
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.4A)
 0.89A 1qzfD-6cxmA:
12.4		 1qzfD-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QZF_D_FOLD617_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ALA A   8
ASP A  28
THR A  47
LEU A  58
ARG A  61
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.54A 1qzfD-6cxmA:
12.4		 1qzfD-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QZF_D_FOLD617_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6e4e -
(-) 		9 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.66A 1qzfD-6e4eA:
12.9		 1qzfD-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QZF_E_FOLE621_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A   8
ASP A  28
LEU A  29
LEU A  58
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.4A)
 0.90A 1qzfE-6cxmA:
12.4		 1qzfE-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QZF_E_FOLE621_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ALA A   8
ASP A  28
THR A  47
LEU A  58
ARG A  61
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.55A 1qzfE-6cxmA:
12.4		 1qzfE-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QZF_E_FOLE621_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6e4e -
(-) 		9 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.65A 1qzfE-6e4eA:
12.9		 1qzfE-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RA2_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
ASP A  28
PHE A  32
LYS A  33
LEU A  58
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.41A 1ra2A-6cxmA:
20.6		 1ra2A-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RA2_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
ASP A  28
LEU A  29
PHE A  32
LEU A  58
ILE A  92
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
MMV  A 202 (-4.4A)
 0.81A 1ra2A-6cxmA:
20.6		 1ra2A-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RA2_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		6 / 12 ALA A   7
ASP A  27
LEU A  28
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.60A 1ra2A-6e4eA:
24.8		 1ra2A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RA3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
ASP A  28
LEU A  29
LEU A  58
ARG A  61
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.64A 1ra3A-6cxmA:
20.6		 1ra3A-6cxmA:
30.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RA3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
ASP A  28
LYS A  33
LEU A  58
ARG A  61
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.46A 1ra3A-6cxmA:
20.6		 1ra3A-6cxmA:
30.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RA3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		7 / 12 ALA A   7
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.48A 1ra3A-6e4eA:
24.9		 1ra3A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RA8_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
PHE A  32
THR A  47
LEU A  58
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.38A 1ra8A-6cxmA:
20.5		 1ra8A-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RA8_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
LEU A  29
PHE A  32
THR A  47
LEU A  58
ILE A  92
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
MMV  A 202 (-4.4A)
 0.78A 1ra8A-6cxmA:
20.5		 1ra8A-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RA8_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		6 / 12 ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.60A 1ra8A-6e4eA:
24.7		 1ra8A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RA8_A_FOLA161_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 ASP A  28
LYS A  33
ARG A  61
 MMV  A 202 (-2.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-2.8A)
 0.61A 1ra8A-6cxmA:
20.5		 1ra8A-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RB2_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
ASP A  28
PHE A  32
LYS A  33
LEU A  58
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.47A 1rb2A-6cxmA:
20.7		 1rb2A-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RB2_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
ASP A  28
LEU A  29
PHE A  32
LEU A  58
ILE A  92
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
MMV  A 202 (-4.4A)
 0.82A 1rb2A-6cxmA:
20.7		 1rb2A-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RB2_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		6 / 12 ALA A   7
ASP A  27
LEU A  28
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.65A 1rb2A-6e4eA:
24.8		 1rb2A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RB2_B_FOLB161_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		10 / 12 ILE A   6
ALA A   8
ASP A  28
PHE A  32
LYS A  33
LEU A  58
ARG A  61
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.56A 1rb2B-6cxmA:
20.6		 1rb2B-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RB2_B_FOLB161_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ASP A  28
LEU A  29
PHE A  32
LYS A  33
LEU A  58
ARG A  61
ILE A  92
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
MMV  A 202 (-4.4A)
 0.88A 1rb2B-6cxmA:
20.6		 1rb2B-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RB2_B_FOLB161_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		6 / 12 ALA A   7
ASP A  27
LEU A  28
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
None
None
MMV  A 202 (-4.3A)
 0.67A 1rb2B-6e4eA:
24.6		 1rb2B-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RB3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 10 ILE A   6
ALA A   8
ASP A  28
LYS A  33
ARG A  61
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.50A 1rb3A-6cxmA:
20.7		 1rb3A-6cxmA:
30.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RB3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 10 ILE A   6
ASP A  28
LEU A  29
ARG A  61
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.73A 1rb3A-6cxmA:
20.7		 1rb3A-6cxmA:
30.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RB3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		6 / 10 ALA A   7
ASP A  27
LEU A  28
ILE A  50
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.41A 1rb3A-6e4eA:
24.9		 1rb3A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RB3_B_MTXB161_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
ASP A  28
LEU A  29
LEU A  58
ARG A  61
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.72A 1rb3B-6cxmA:
20.7		 1rb3B-6cxmA:
30.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RB3_B_MTXB161_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		10 / 12 ILE A   6
ALA A   8
ASP A  28
LYS A  33
SER A  50
LEU A  58
ARG A  61
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.6A)
NAP  A 201 ( 3.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.98A 1rb3B-6cxmA:
20.7		 1rb3B-6cxmA:
30.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RB3_B_MTXB161_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		7 / 12 ALA A   7
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.55A 1rb3B-6e4eA:
24.9		 1rb3B-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RD7_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
PHE A  32
LYS A  33
THR A  47
LEU A  58
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.46A 1rd7A-6cxmA:
20.0		 1rd7A-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RD7_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
LEU A  29
PHE A  32
THR A  47
LEU A  58
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.72A 1rd7A-6cxmA:
20.0		 1rd7A-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RD7_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		6 / 12 ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.56A 1rd7A-6e4eA:
24.1		 1rd7A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RD7_B_FOLB361_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
ASP A  28
LEU A  29
THR A  47
LEU A  58
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.73A 1rd7B-6cxmA:
20.0		 1rd7B-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RD7_B_FOLB361_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
ASP A  28
LYS A  33
THR A  47
LEU A  58
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.50A 1rd7B-6cxmA:
20.0		 1rd7B-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RD7_B_FOLB361_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		7 / 12 ALA A   7
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.56A 1rd7B-6e4eA:
24.0		 1rd7B-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RE7_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
ASP A  28
LEU A  29
PHE A  32
THR A  47
ILE A  92
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 ( 4.2A)
MMV  A 202 (-4.4A)
 0.67A 1re7A-6cxmA:
20.2		 1re7A-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RE7_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
ASP A  28
PHE A  32
LYS A  33
THR A  47
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.45A 1re7A-6cxmA:
20.2		 1re7A-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RE7_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		6 / 12 ALA A   7
ASP A  27
LEU A  28
THR A  46
ILE A  50
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
MMV  A 202 (-4.3A)
 0.48A 1re7A-6e4eA:
24.1		 1re7A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RE7_B_FOLB361_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A   8
ASP A  28
LEU A  51
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
None
None
MMV  A 202 (-4.4A)
 1.22A 1re7B-6cxmA:
20.0		 1re7B-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RE7_B_FOLB361_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		10 / 12 ILE A   6
ALA A   8
ASP A  28
PHE A  32
LYS A  33
LEU A  58
PRO A  59
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.6A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.56A 1re7B-6cxmA:
20.0		 1re7B-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RE7_B_FOLB361_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ILE A   6
LEU A  29
PHE A  32
LEU A  58
ILE A  92
 MMV  A 202 (-4.0A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
 0.90A 1re7B-6cxmA:
20.0		 1re7B-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RE7_B_FOLB361_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		7 / 12 ALA A   7
ASP A  27
LEU A  28
ILE A  50
LEU A  54
PRO A  55
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.59A 1re7B-6e4eA:
24.1		 1re7B-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RG7_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A   8
ASP A  28
LEU A  29
LEU A  58
ARG A  61
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
 0.89A 1rg7A-6cxmA:
19.5		 1rg7A-6cxmA:
30.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RG7_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ALA A   8
ASP A  28
LYS A  33
LEU A  58
ARG A  61
TYR A  98
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 1.33A 1rg7A-6cxmA:
19.5		 1rg7A-6cxmA:
30.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RG7_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ALA A   8
ASP A  28
LYS A  33
THR A  47
LEU A  58
ARG A  61
TYR A  98
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 0.50A 1rg7A-6cxmA:
19.5		 1rg7A-6cxmA:
30.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RG7_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ALA A   8
ASP A  28
LYS A  33
THR A  47
SER A  50
TYR A  98
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
NAP  A 201 ( 3.9A)
None
 0.72A 1rg7A-6cxmA:
19.5		 1rg7A-6cxmA:
30.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RG7_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		8 / 12 ALA A   7
ASP A  27
LEU A  28
THR A  46
SER A  49
ILE A  50
LEU A  54
ARG A  57
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
 0.66A 1rg7A-6e4eA:
23.3		 1rg7A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RH3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ILE A   6
ASP A  28
LEU A  29
PHE A  32
LEU A  58
ARG A  61
 MMV  A 202 (-4.0A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
 0.88A 1rh3A-6cxmA:
21.4		 1rh3A-6cxmA:
30.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RH3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ASP A  28
PHE A  32
LYS A  33
SER A  50
LEU A  58
ARG A  61
TYR A  98
 MMV  A 202 (-4.0A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 ( 3.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 0.57A 1rh3A-6cxmA:
21.4		 1rh3A-6cxmA:
30.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RH3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		5 / 12 ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
 MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
 0.54A 1rh3A-6e4eA:
25.6		 1rh3A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RX2_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
PHE A  32
LYS A  33
LEU A  58
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.71A 1rx2A-6cxmA:
21.9		 1rx2A-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RX2_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ILE A   6
LEU A  29
PHE A  32
LEU A  58
ILE A  92
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
MMV  A 202 (-4.4A)
 0.81A 1rx2A-6cxmA:
21.9		 1rx2A-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RX2_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		5 / 12 ALA A   7
LEU A  28
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.54A 1rx2A-6e4eA:
25.9		 1rx2A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RX3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
ASP A  28
PHE A  32
SER A  50
LEU A  58
ARG A  61
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 ( 3.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 0.50A 1rx3A-6cxmA:
21.8		 1rx3A-6cxmA:
30.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RX3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
ASP A  28
LEU A  29
PHE A  32
SER A  50
LEU A  58
ARG A  61
 MMV  A 202 (-4.0A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
NAP  A 201 ( 3.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
 0.76A 1rx3A-6cxmA:
21.8		 1rx3A-6cxmA:
30.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RX3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		7 / 12 ALA A   7
ASP A  27
LEU A  28
SER A  49
ILE A  50
LEU A  54
ARG A  57
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
 0.66A 1rx3A-6e4eA:
25.9		 1rx3A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RX7_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		10 / 12 ILE A   6
ALA A   8
ASP A  28
LEU A  29
PHE A  32
THR A  47
LEU A  58
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.70A 1rx7A-6cxmA:
19.7		 1rx7A-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RX7_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		10 / 12 ILE A   6
ALA A   8
ASP A  28
PHE A  32
LYS A  33
THR A  47
LEU A  58
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.57A 1rx7A-6cxmA:
19.7		 1rx7A-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RX7_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		7 / 12 ALA A   7
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.60A 1rx7A-6e4eA:
23.6		 1rx7A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RX8_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
PHE A  32
LYS A  33
LEU A  58
PRO A  59
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.6A)
None
MMV  A 202 (-4.4A)
 0.76A 1rx8A-6cxmA:
21.5		 1rx8A-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RX8_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ILE A   6
LEU A  29
PHE A  32
LEU A  58
PRO A  59
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.6A)
MMV  A 202 (-4.4A)
 0.82A 1rx8A-6cxmA:
21.5		 1rx8A-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RX8_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		6 / 12 ALA A   7
LEU A  28
ILE A  50
LEU A  54
PRO A  55
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.57A 1rx8A-6e4eA:
25.3		 1rx8A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TDR_A_MTXA170_1
(TELLUROMETHIONYL
DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
ASP A  28
LEU A  29
PHE A  32
LEU A  58
ARG A  61
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 0.70A 1tdrA-6cxmA:
20.3		 1tdrA-6cxmA:
30.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TDR_A_MTXA170_1
(TELLUROMETHIONYL
DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
ASP A  28
PHE A  32
LYS A  33
THR A  47
LEU A  58
ARG A  61
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 0.61A 1tdrA-6cxmA:
20.3		 1tdrA-6cxmA:
30.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TDR_A_MTXA170_1
(TELLUROMETHIONYL
DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		7 / 12 ALA A   7
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
None
 0.61A 1tdrA-6e4eA:
24.2		 1tdrA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TDR_B_MTXB170_1
(TELLUROMETHIONYL
DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 10 ALA A   8
ASP A  28
LEU A  29
LEU A  58
ARG A  61
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.71A 1tdrB-6cxmA:
20.9		 1tdrB-6cxmA:
30.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TDR_B_MTXB170_1
(TELLUROMETHIONYL
DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 10 ALA A   8
ASP A  28
LYS A  33
LEU A  58
ARG A  61
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.49A 1tdrB-6cxmA:
20.9		 1tdrB-6cxmA:
30.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TDR_B_MTXB170_1
(TELLUROMETHIONYL
DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		7 / 10 ALA A   7
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.51A 1tdrB-6e4eA:
24.5		 1tdrB-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1U70_A_MTXA187_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ILE A   6
ALA A   8
PRO A  52
LEU A  58
ARG A  61
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 0.53A 1u70A-6cxmA:
19.8		 1u70A-6cxmA:
20.25
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.
1U72_A_MTXA188_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ALA A   8
SER A  50
PRO A  52
LEU A  58
ARG A  61
TYR A  98
 NAP  A 201 (-3.9A)
NAP  A 201 ( 3.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 0.45A 1u72A-6cxmA:
20.3		 1u72A-6cxmA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BL9_A_CP6A1240_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A   8
ASP A  28
PHE A  32
SER A  50
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 ( 3.9A)
MMV  A 202 (-4.4A)
 0.82A 2bl9A-6cxmA:
18.8		 2bl9A-6cxmA:
15.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BL9_A_CP6A1240_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
ASP A  28
PHE A  32
SER A  50
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 ( 3.9A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.32A 2bl9A-6cxmA:
18.8		 2bl9A-6cxmA:
15.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BL9_A_CP6A1240_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6e4e -
(-) 		6 / 12 ALA A   7
LEU A  20
ASP A  27
SER A  49
ILE A  50
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
MMV  A 202 (-4.3A)
 0.75A 2bl9A-6e4eA:
19.8		 2bl9A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BLA_A_CP6A302_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 11 ILE A   6
ALA A   8
ASP A  28
PHE A  32
SER A  50
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 ( 3.9A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.58A 2blaA-6cxmA:
18.6		 2blaA-6cxmA:
15.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CD2_A_FOLA307_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
THR A  47
PRO A  52
LEU A  58
ARG A  61
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
NAP  A 201 (-3.3A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.36A 2cd2A-6cxmA:
19.2		 2cd2A-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CD2_A_FOLA307_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		6 / 12 ALA A   7
LEU A  20
THR A  46
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
NAP  A 201 ( 3.3A)
None
None
MMV  A 202 (-4.3A)
 0.66A 2cd2A-6e4eA:
19.6		 2cd2A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2D0K_B_FOLB2161_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
LEU A  29
PHE A  32
THR A  47
LEU A  58
ARG A  61
ILE A  92
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
MMV  A 202 (-4.4A)
 0.71A 2d0kB-6cxmA:
19.8		 2d0kB-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2D0K_B_FOLB2161_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
PHE A  32
THR A  47
LEU A  58
ARG A  61
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.42A 2d0kB-6cxmA:
19.8		 2d0kB-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2D0K_B_FOLB2161_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		7 / 12 ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.68A 2d0kB-6e4eA:
23.7		 2d0kB-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DRC_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
ASP A  28
LEU A  29
LEU A  58
ARG A  61
ILE A  92
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
 0.70A 2drcA-6cxmA:
20.5		 2drcA-6cxmA:
29.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DRC_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
ALA A   8
ASP A  28
LEU A  29
SER A  50
ILE A  92
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
NAP  A 201 ( 3.9A)
MMV  A 202 ( 4.2A)
None
 0.90A 2drcA-6cxmA:
20.5		 2drcA-6cxmA:
29.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DRC_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
ASP A  28
LYS A  33
LEU A  58
ARG A  61
ILE A  92
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
 0.51A 2drcA-6cxmA:
20.5		 2drcA-6cxmA:
29.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DRC_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		7 / 12 ALA A   7
ASP A  27
LEU A  28
SER A  49
ILE A  50
LEU A  54
ARG A  57
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
 0.66A 2drcA-6e4eA:
24.3		 2drcA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DRC_B_MTXB161_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
ASP A  28
LEU A  29
LEU A  58
ARG A  61
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.67A 2drcB-6cxmA:
20.8		 2drcB-6cxmA:
29.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DRC_B_MTXB161_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
ASP A  28
LYS A  33
LEU A  58
ARG A  61
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.52A 2drcB-6cxmA:
20.8		 2drcB-6cxmA:
29.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DRC_B_MTXB161_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		7 / 12 ALA A   7
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.49A 2drcB-6e4eA:
24.7		 2drcB-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HRC_B_CHDB1605_0
(FERROCHELATASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 LEU A  29
ILE A 115
LEU A  51
PRO A  52
VAL A  55
 MMV  A 202 (-4.7A)
None
None
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.8A)
 1.06A 2hrcB-6cxmA:
undetectable		 2hrcB-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIP_A_MTXA605_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ALA A   8
ASP A  28
PHE A  32
THR A  47
LEU A  58
ARG A  61
TYR A  98
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 0.60A 2oipA-6cxmA:
19.9		 2oipA-6cxmA:
9.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIP_A_MTXA605_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 6e4e -
(-) 		8 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
None
 0.71A 2oipA-6e4eA:
21.6		 2oipA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIP_B_MTXB609_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ALA A   8
ASP A  28
LEU A  29
PHE A  32
THR A  47
LEU A  58
ARG A  61
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.90A 2oipB-6cxmA:
6.7		 2oipB-6cxmA:
9.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIP_B_MTXB609_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 6e4e -
(-) 		8 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A  46
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
None
None
MMV  A 202 (-4.3A)
 0.62A 2oipB-6e4eA:
13.1		 2oipB-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIP_B_MTXB609_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 6e4e -
(-) 		6 / 12 ALA A   7
LEU A  20
ASP A  27
LYS A  29
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
None
None
MMV  A 202 (-4.3A)
 1.23A 2oipB-6e4eA:
13.1		 2oipB-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIP_C_MTXC613_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ALA A   8
ASP A  28
LEU A  29
PHE A  32
THR A  47
LEU A  58
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.4A)
 0.99A 2oipC-6cxmA:
19.5		 2oipC-6cxmA:
9.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIP_C_MTXC613_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ALA A   8
ASP A  28
PHE A  32
THR A  47
LEU A  58
ARG A  61
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.66A 2oipC-6cxmA:
19.5		 2oipC-6cxmA:
9.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIP_C_MTXC613_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 6e4e -
(-) 		8 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A  46
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
None
None
MMV  A 202 (-4.3A)
 0.67A 2oipC-6e4eA:
21.3		 2oipC-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIP_D_MTXD617_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A   8
ASP A  28
LEU A  29
PHE A  32
LEU A  58
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
 1.01A 2oipD-6cxmA:
11.9		 2oipD-6cxmA:
9.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIP_D_MTXD617_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ALA A   8
ASP A  28
PHE A  32
THR A  47
LEU A  58
ARG A  61
TYR A  98
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 0.67A 2oipD-6cxmA:
11.9		 2oipD-6cxmA:
9.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIP_D_MTXD617_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 6e4e -
(-) 		8 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
None
 0.74A 2oipD-6e4eA:
22.0		 2oipD-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIP_E_MTXE621_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ALA A   8
ASP A  28
LEU A  29
PHE A  32
THR A  47
LEU A  58
TYR A  98
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
None
 1.06A 2oipE-6cxmA:
18.9		 2oipE-6cxmA:
9.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIP_E_MTXE621_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ALA A   8
ASP A  28
PHE A  32
THR A  47
LEU A  58
ARG A  61
TYR A  98
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 0.74A 2oipE-6cxmA:
18.9		 2oipE-6cxmA:
9.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIP_E_MTXE621_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 6e4e -
(-) 		8 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
None
 0.74A 2oipE-6e4eA:
20.7		 2oipE-6e4eA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QK8_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ALA A   8
LEU A  29
LEU A  58
PRO A  59
ARG A  61
TYR A  98
 NAP  A 201 (-3.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.6A)
MMV  A 202 (-2.8A)
None
 0.97A 2qk8A-6cxmA:
20.8		 2qk8A-6cxmA:
30.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QK8_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ALA A   8
LYS A  33
LEU A  58
PRO A  59
ARG A  61
TYR A  98
 NAP  A 201 (-3.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.6A)
MMV  A 202 (-2.8A)
None
 0.64A 2qk8A-6cxmA:
20.8		 2qk8A-6cxmA:
30.65
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.
2QK8_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		8 / 12 ALA A   7
LEU A  28
VAL A  31
ILE A  50
LEU A  54
PRO A  55
ARG A  57
PHE A  92
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.9A)
MMV  A 202 ( 4.9A)
None
None
None
MMV  A 202 ( 3.5A)
 0.53A 2qk8A-6e4eA:
25.4		 2qk8A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W3A_A_TOPA1190_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 11 ILE A   6
ALA A   8
PHE A  32
THR A  47
PRO A  52
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 ( 4.6A)
None
MMV  A 202 (-4.4A)
 0.54A 2w3aA-6cxmA:
20.3		 2w3aA-6cxmA:
21.47
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.
2W3A_B_TOPB1189_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 10 ILE A   6
ALA A   8
PHE A  32
THR A  47
LEU A  58
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.4A)
 0.45A 2w3aB-6cxmA:
20.2		 2w3aB-6cxmA:
21.47
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.
2W3A_B_TOPB1189_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		5 / 10 ALA A   7
THR A  46
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.81A 2w3aB-6e4eA:
20.3		 2w3aB-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W3B_A_FOLA401_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
PHE A  32
THR A  47
PRO A  52
LEU A  58
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.4A)
 0.45A 2w3bA-6cxmA:
20.4		 2w3bA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W3B_A_FOLA401_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		6 / 12 ALA A   7
LEU A  20
THR A  46
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.70A 2w3bA-6e4eA:
20.5		 2w3bA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W3B_B_FOLB401_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
ALA A   8
PHE A  32
PRO A  52
LEU A  58
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.4A)
 0.48A 2w3bB-6cxmA:
20.3		 2w3bB-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W3B_B_FOLB401_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		5 / 12 ALA A   7
LEU A  20
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.71A 2w3bB-6e4eA:
20.4		 2w3bB-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W3M_A_FOLA1188_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
ALA A   8
PHE A  32
PRO A  52
LEU A  58
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.4A)
 0.51A 2w3mA-6cxmA:
20.3		 2w3mA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W3M_A_FOLA1188_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		5 / 12 ALA A   7
LEU A  20
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.82A 2w3mA-6e4eA:
20.2		 2w3mA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W3M_B_FOLB1188_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
ALA A   8
PHE A  32
LEU A  58
ARG A  61
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.43A 2w3mB-6cxmA:
20.2		 2w3mB-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W3M_B_FOLB1188_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		5 / 12 ALA A   7
LEU A  20
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
None
None
MMV  A 202 (-4.3A)
 0.64A 2w3mB-6e4eA:
20.2		 2w3mB-6e4eA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2W3V_A_TOPA1169_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 LEU A  29
PHE A  32
SER A  50
LEU A  51
ILE A  92
THR A 111
 MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
NAP  A 201 ( 3.9A)
None
MMV  A 202 ( 4.2A)
MMV  A 202 (-4.4A)
 1.06A 2w3vA-6cxmA:
26.0		 2w3vA-6cxmA:
33.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2W3V_A_TOPA1169_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 TRP A   7
ALA A   8
ASP A  28
LEU A  58
ILE A  92
TYR A  98
THR A 111
 None
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 1.25A 2w3vA-6cxmA:
26.0		 2w3vA-6cxmA:
33.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2W3V_A_TOPA1169_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		10 / 12 TRP A   7
ALA A   8
ILE A  21
ASP A  28
PHE A  32
SER A  50
LEU A  51
ILE A  92
TYR A  98
THR A 111
 None
NAP  A 201 (-3.9A)
NAP  A 201 (-3.8A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 ( 3.9A)
None
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.60A 2w3vA-6cxmA:
26.0		 2w3vA-6cxmA:
33.54
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.
2W3V_A_TOPA1169_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		5 / 12 ALA A   7
ASP A  27
LEU A  28
SER A  49
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 (-4.2A)
MMV  A 202 (-4.3A)
 0.67A 2w3vA-6e4eA:
22.6		 2w3vA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W9G_A_TOPA1159_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		9 / 10 LEU A   5
ALA A   7
LEU A  20
ASP A  27
LEU A  28
VAL A  31
ILE A  50
PHE A  92
THR A 111
 MMV  A 202 (-4.2A)
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.9A)
MMV  A 202 ( 4.9A)
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
 0.34A 2w9gA-6e4eA:
30.8		 2w9gA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W9G_A_TOPA1159_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		9 / 10 LEU A   5
ALA A   7
LEU A  20
ASP A  27
VAL A  31
SER A  49
ILE A  50
PHE A  92
THR A 111
 MMV  A 202 (-4.2A)
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.9A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
 0.51A 2w9gA-6e4eA:
30.8		 2w9gA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W9H_A_TOPA1160_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		9 / 10 LEU A   5
ALA A   7
LEU A  20
ASP A  27
LEU A  28
VAL A  31
ILE A  50
PHE A  92
THR A 111
 MMV  A 202 (-4.2A)
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.9A)
MMV  A 202 ( 4.9A)
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
 0.41A 2w9hA-6e4eA:
30.4		 2w9hA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W9H_A_TOPA1160_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		9 / 10 LEU A   5
ALA A   7
LEU A  20
ASP A  27
VAL A  31
SER A  49
ILE A  50
PHE A  92
THR A 111
 MMV  A 202 (-4.2A)
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.9A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
 0.55A 2w9hA-6e4eA:
30.4		 2w9hA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W9S_A_TOPA1160_1
(DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 11 ILE A   6
ALA A   8
ASP A  28
LEU A  29
SER A  50
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
NAP  A 201 ( 3.9A)
None
MMV  A 202 (-4.4A)
 0.85A 2w9sA-6cxmA:
22.2		 2w9sA-6cxmA:
30.00
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.
2W9S_A_TOPA1160_1
(DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003)		 6e4e -
(-) 		8 / 11 ALA A   7
LEU A  20
ASP A  27
LEU A  28
SER A  49
ILE A  50
PHE A  92
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
 0.57A 2w9sA-6e4eA:
30.1		 2w9sA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W9S_B_TOPB1160_1
(DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 11 ILE A   6
ALA A   8
ASP A  28
LEU A  29
SER A  50
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
NAP  A 201 ( 3.9A)
None
MMV  A 202 (-4.4A)
 0.83A 2w9sB-6cxmA:
22.1		 2w9sB-6cxmA:
30.00
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.
2W9S_B_TOPB1160_1
(DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003)		 6e4e -
(-) 		8 / 11 ALA A   7
LEU A  20
ASP A  27
LEU A  28
SER A  49
ILE A  50
PHE A  92
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
 0.55A 2w9sB-6e4eA:
30.1		 2w9sB-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W9S_C_TOPC1160_1
(DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 10 ILE A   6
ALA A   8
ASP A  28
SER A  50
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
NAP  A 201 ( 3.9A)
None
MMV  A 202 (-4.4A)
 0.60A 2w9sC-6cxmA:
22.2		 2w9sC-6cxmA:
30.00
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.
2W9S_C_TOPC1160_1
(DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003)		 6e4e -
(-) 		7 / 10 ALA A   7
LEU A  20
ASP A  27
SER A  49
ILE A  50
PHE A  92
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
 0.56A 2w9sC-6e4eA:
30.1		 2w9sC-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W9S_D_TOPD1158_1
(DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 10 ILE A   6
ALA A   8
ASP A  28
LEU A  29
SER A  50
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
NAP  A 201 ( 3.9A)
None
MMV  A 202 (-4.4A)
 0.67A 2w9sD-6cxmA:
21.8		 2w9sD-6cxmA:
30.00
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.
2W9S_D_TOPD1158_1
(DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003)		 6e4e -
(-) 		6 / 10 ALA A   7
LEU A  20
ASP A  27
LEU A  28
PHE A  92
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
 0.51A 2w9sD-6e4eA:
29.7		 2w9sD-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W9S_D_TOPD1158_1
(DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003)		 6e4e -
(-) 		6 / 10 ALA A   7
LEU A  20
ASP A  27
LEU A  28
SER A  49
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 (-4.2A)
MMV  A 202 (-4.3A)
 0.81A 2w9sD-6e4eA:
29.7		 2w9sD-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W9S_E_TOPE1160_1
(DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 8 ILE A   6
ALA A   8
ASP A  28
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
None
MMV  A 202 (-4.4A)
 0.22A 2w9sE-6cxmA:
21.9		 2w9sE-6cxmA:
30.00
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.
2W9S_E_TOPE1160_1
(DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003)		 6e4e -
(-) 		5 / 8 ALA A   7
LEU A  20
ASP A  27
PHE A  92
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
 0.44A 2w9sE-6e4eA:
29.8		 2w9sE-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W9S_F_TOPF1159_1
(DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 10 ILE A   6
ALA A   8
ASP A  28
LEU A  29
SER A  50
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
NAP  A 201 ( 3.9A)
None
MMV  A 202 (-4.4A)
 0.69A 2w9sF-6cxmA:
21.8		 2w9sF-6cxmA:
30.00
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.
2W9S_F_TOPF1159_1
(DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003)		 6e4e -
(-) 		6 / 10 ALA A   7
LEU A  20
ASP A  27
LEU A  28
PHE A  92
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
 0.49A 2w9sF-6e4eA:
29.7		 2w9sF-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W9S_F_TOPF1159_1
(DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003)		 6e4e -
(-) 		6 / 10 ALA A   7
LEU A  20
ASP A  27
LEU A  28
SER A  49
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 (-4.2A)
MMV  A 202 (-4.3A)
 0.80A 2w9sF-6e4eA:
29.7		 2w9sF-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZZA_A_FOLA164_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
ALA A   8
LYS A  33
LEU A  58
ARG A  61
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.48A 2zzaA-6cxmA:
21.8		 2zzaA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZZA_A_FOLA164_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ILE A   6
LEU A  29
LEU A  58
ARG A  61
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.95A 2zzaA-6cxmA:
21.8		 2zzaA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZZA_A_FOLA164_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		6 / 12 ALA A   7
LEU A  28
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.48A 2zzaA-6e4eA:
25.9		 2zzaA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZZA_B_FOLB164_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 11 ILE A   6
ALA A   8
LYS A  33
LEU A  58
ARG A  61
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.68A 2zzaB-6cxmA:
21.8		 2zzaB-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZZA_B_FOLB164_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 ILE A   6
LEU A  29
LEU A  58
ARG A  61
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.97A 2zzaB-6cxmA:
21.8		 2zzaB-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZZA_B_FOLB164_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		6 / 11 ALA A   7
LEU A  28
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.51A 2zzaB-6e4eA:
25.9		 2zzaB-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CD2_A_MTXA307_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
LYS A  33
PRO A  52
LEU A  58
ARG A  61
ILE A  92
TYR A  98
 MMV  A 202 (-4.0A)
MMV  A 202 ( 4.6A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
 0.49A 3cd2A-6cxmA:
18.8		 3cd2A-6cxmA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CL9_A_MTXA602_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE (DHFR-TS))		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ALA A   8
ILE A  21
ASP A  28
THR A  47
PRO A  52
LEU A  58
PRO A  59
ARG A  61
TYR A  98
 NAP  A 201 (-3.9A)
NAP  A 201 (-3.8A)
MMV  A 202 (-2.9A)
NAP  A 201 (-3.3A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.6A)
MMV  A 202 (-2.8A)
None
 0.64A 3cl9A-6cxmA:
5.8		 3cl9A-6cxmA:
8.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CL9_A_MTXA602_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE (DHFR-TS))		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ALA A   8
ILE A  21
ASP A  28
THR A  47
SER A  50
PRO A  52
PRO A  59
ARG A  61
TYR A  98
 NAP  A 201 (-3.9A)
NAP  A 201 (-3.8A)
MMV  A 202 (-2.9A)
NAP  A 201 (-3.3A)
NAP  A 201 ( 3.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.6A)
MMV  A 202 (-2.8A)
None
 0.82A 3cl9A-6cxmA:
5.8		 3cl9A-6cxmA:
8.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CL9_A_MTXA602_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE (DHFR-TS))		 6e4e -
(-) 		7 / 12 ALA A   7
ASP A  27
THR A  46
SER A  49
LEU A  54
PRO A  55
ARG A  57
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
NAP  A 201 ( 3.3A)
NAP  A 201 (-4.2A)
None
None
None
 0.77A 3cl9A-6e4eA:
18.9		 3cl9A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CLB_A_TMQA611_1
(DHFR-TS)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 11 ALA A   8
ILE A  21
ASP A  28
LEU A  58
ILE A  92
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
NAP  A 201 (-3.8A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.47A 3clbA-6cxmA:
19.5		 3clbA-6cxmA:
8.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CLB_A_TMQA611_1
(DHFR-TS)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 11 ILE A  21
ASP A  28
PRO A  52
LEU A  58
ILE A  92
TYR A  98
 NAP  A 201 (-3.8A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
 0.74A 3clbA-6cxmA:
19.5		 3clbA-6cxmA:
8.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CLB_A_TMQA611_1
(DHFR-TS)		 6e4e -
(-) 		5 / 11 ALA A   7
ASP A  27
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.61A 3clbA-6e4eA:
19.2		 3clbA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CLB_B_TMQB612_1
(DHFR-TS)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ALA A   8
ILE A  21
ASP A  28
PHE A  32
THR A  47
SER A  50
ILE A  92
TYR A  98
 NAP  A 201 (-3.9A)
NAP  A 201 (-3.8A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
NAP  A 201 ( 3.9A)
MMV  A 202 ( 4.2A)
None
 0.73A 3clbB-6cxmA:
18.0		 3clbB-6cxmA:
8.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CLB_B_TMQB612_1
(DHFR-TS)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ILE A  21
THR A  47
SER A  50
PRO A  52
TYR A  98
 NAP  A 201 (-3.8A)
NAP  A 201 (-3.3A)
NAP  A 201 ( 3.9A)
MMV  A 202 ( 4.6A)
None
 0.99A 3clbB-6cxmA:
18.0		 3clbB-6cxmA:
8.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CLB_C_TMQC613_1
(DHFR-TS)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ALA A   8
ILE A  21
ASP A  28
THR A  47
LEU A  58
ILE A  92
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
NAP  A 201 (-3.8A)
MMV  A 202 (-2.9A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.52A 3clbC-6cxmA:
7.6		 3clbC-6cxmA:
8.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CLB_C_TMQC613_1
(DHFR-TS)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A  21
ASP A  28
THR A  47
PRO A  52
LEU A  58
ILE A  92
TYR A  98
 NAP  A 201 (-3.8A)
MMV  A 202 (-2.9A)
NAP  A 201 (-3.3A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
 0.65A 3clbC-6cxmA:
7.6		 3clbC-6cxmA:
8.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CLB_C_TMQC613_1
(DHFR-TS)		 6e4e -
(-) 		6 / 12 ALA A   7
ASP A  27
THR A  46
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.65A 3clbC-6e4eA:
19.0		 3clbC-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CLB_D_TMQD614_1
(DHFR-TS)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 10 ALA A   8
ASP A  28
PRO A  59
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.6A)
None
MMV  A 202 (-4.4A)
 1.03A 3clbD-6cxmA:
7.5		 3clbD-6cxmA:
8.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CLB_D_TMQD614_1
(DHFR-TS)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 10 ALA A   8
ILE A  21
ASP A  28
ILE A  92
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
NAP  A 201 (-3.8A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.47A 3clbD-6cxmA:
7.5		 3clbD-6cxmA:
8.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CLB_D_TMQD614_1
(DHFR-TS)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 10 ILE A  21
ASP A  28
PRO A  52
ILE A  92
TYR A  98
 NAP  A 201 (-3.8A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 ( 4.2A)
None
 0.62A 3clbD-6cxmA:
7.5		 3clbD-6cxmA:
8.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DAT_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		8 / 12 ALA A   7
LEU A  20
LEU A  28
VAL A  31
ILE A  50
LEU A  54
ARG A  57
PHE A  92
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.9A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 ( 3.5A)
 0.55A 3datA-6e4eA:
25.4		 3datA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DAU_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
ASP A  28
ALA A  30
LYS A  33
LEU A  58
ARG A  61
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
None
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 0.54A 3dauA-6cxmA:
21.7		 3dauA-6cxmA:
30.00
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.
3DAU_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
ALA A   8
ASP A  28
LEU A  29
ALA A  30
LEU A  58
ARG A  61
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
None
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
 0.81A 3dauA-6cxmA:
21.7		 3dauA-6cxmA:
30.00
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.
3DAU_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		6 / 12 ALA A   7
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
 0.54A 3dauA-6e4eA:
26.0		 3dauA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DFR_A_MTXA164_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ALA A   8
ASP A  28
LEU A  29
PRO A  52
LEU A  58
ARG A  61
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 1.23A 3dfrA-6cxmA:
21.5		 3dfrA-6cxmA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DFR_A_MTXA164_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ALA A   8
ASP A  28
SER A  50
PRO A  52
LEU A  58
ARG A  61
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
NAP  A 201 ( 3.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.78A 3dfrA-6cxmA:
21.5		 3dfrA-6cxmA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DFR_A_MTXA164_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		5 / 12 ALA A   7
LEU A  20
ASP A  27
SER A  49
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
NAP  A 201 (-4.2A)
MMV  A 202 (-4.3A)
 0.68A 3dfrA-6e4eA:
23.9		 3dfrA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DFR_A_MTXA164_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		8 / 12 LEU A   5
ALA A   7
LEU A  20
ASP A  27
LEU A  28
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 (-4.2A)
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
None
None
MMV  A 202 (-4.3A)
 0.45A 3dfrA-6e4eA:
23.9		 3dfrA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DRC_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
ASP A  28
LEU A  29
LEU A  58
ARG A  61
ILE A  92
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
 0.70A 3drcA-6cxmA:
20.6		 3drcA-6cxmA:
30.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DRC_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
ALA A   8
ASP A  28
LEU A  29
SER A  50
ILE A  92
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
NAP  A 201 ( 3.9A)
MMV  A 202 ( 4.2A)
None
 0.90A 3drcA-6cxmA:
20.6		 3drcA-6cxmA:
30.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DRC_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
ASP A  28
LYS A  33
LEU A  58
ARG A  61
ILE A  92
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
 0.53A 3drcA-6cxmA:
20.6		 3drcA-6cxmA:
30.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DRC_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		7 / 12 ALA A   7
ASP A  27
LEU A  28
SER A  49
ILE A  50
LEU A  54
ARG A  57
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
 0.67A 3drcA-6e4eA:
24.3		 3drcA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DRC_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
ASP A  28
LEU A  29
LEU A  58
ARG A  61
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.67A 3drcB-6cxmA:
20.9		 3drcB-6cxmA:
30.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DRC_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
ASP A  28
LYS A  33
LEU A  58
ARG A  61
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.50A 3drcB-6cxmA:
20.9		 3drcB-6cxmA:
30.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DRC_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		7 / 12 ALA A   7
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.51A 3drcB-6e4eA:
24.8		 3drcB-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EIG_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
ALA A   8
SER A  50
PRO A  52
LEU A  58
ARG A  61
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
NAP  A 201 ( 3.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 0.66A 3eigA-6cxmA:
19.6		 3eigA-6cxmA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FL9_A_TOPA200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 6e4e -
(-) 		6 / 10 ALA A   7
LEU A  20
VAL A  31
ILE A  50
LEU A  54
PHE A  92
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-4.9A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 ( 3.5A)
 0.65A 3fl9A-6e4eA:
24.9		 3fl9A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FL9_B_TOPB200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 6e4e -
(-) 		7 / 12 ALA A   7
LEU A  20
VAL A  31
ILE A  50
LEU A  54
PHE A  92
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-4.9A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
 0.68A 3fl9B-6e4eA:
24.6		 3fl9B-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FL9_B_TOPB200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 6e4e -
(-) 		7 / 12 LEU A  20
LEU A  28
VAL A  31
ILE A  50
LEU A  54
PHE A  92
THR A 111
 MMV  A 202 (-4.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.9A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
 0.64A 3fl9B-6e4eA:
24.6		 3fl9B-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FL9_C_TOPC200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 6e4e -
(-) 		7 / 11 ALA A   7
LEU A  28
VAL A  31
ILE A  50
LEU A  54
PHE A  92
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.9A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
 0.74A 3fl9C-6e4eA:
24.9		 3fl9C-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FL9_D_TOPD200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 6e4e -
(-) 		6 / 9 ALA A   7
LEU A  20
VAL A  31
ILE A  50
LEU A  54
PHE A  92
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-4.9A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 ( 3.5A)
 0.53A 3fl9D-6e4eA:
25.5		 3fl9D-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FL9_E_TOPE200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 6e4e -
(-) 		7 / 10 ALA A   7
LEU A  20
VAL A  31
ILE A  50
LEU A  54
PHE A  92
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-4.9A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
 0.59A 3fl9E-6e4eA:
24.7		 3fl9E-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FL9_E_TOPE200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 6e4e -
(-) 		7 / 10 LEU A  20
LEU A  28
VAL A  31
ILE A  50
LEU A  54
PHE A  92
THR A 111
 MMV  A 202 (-4.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.9A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
 0.59A 3fl9E-6e4eA:
24.7		 3fl9E-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FL9_F_TOPF200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 6e4e -
(-) 		6 / 10 ALA A   7
LEU A  20
VAL A  31
ILE A  50
LEU A  54
PHE A  92
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-4.9A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 ( 3.5A)
 0.63A 3fl9F-6e4eA:
25.1		 3fl9F-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FL9_G_TOPG200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 6e4e -
(-) 		7 / 12 ALA A   7
LEU A  20
VAL A  31
ILE A  50
LEU A  54
PHE A  92
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-4.9A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
 0.69A 3fl9G-6e4eA:
24.7		 3fl9G-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FL9_G_TOPG200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 6e4e -
(-) 		7 / 12 LEU A  20
LEU A  28
VAL A  31
ILE A  50
LEU A  54
PHE A  92
THR A 111
 MMV  A 202 (-4.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.9A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
 0.68A 3fl9G-6e4eA:
24.7		 3fl9G-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FL9_H_TOPH200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 6e4e -
(-) 		6 / 9 ALA A   7
VAL A  31
ILE A  50
LEU A  54
PHE A  92
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.9A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
 0.69A 3fl9H-6e4eA:
25.1		 3fl9H-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FL9_H_TOPH200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 6e4e -
(-) 		6 / 9 LEU A  28
VAL A  31
ILE A  50
LEU A  54
PHE A  92
THR A 111
 MMV  A 202 (-4.2A)
MMV  A 202 (-4.9A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
 0.61A 3fl9H-6e4eA:
25.1		 3fl9H-6e4eA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3FRB_X_TOPX300_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 ALA A   8
ASP A  28
SER A  50
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
NAP  A 201 ( 3.9A)
None
MMV  A 202 (-4.4A)
 0.71A 3frbX-6cxmA:
21.9		 3frbX-6cxmA:
33.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FRB_X_TOPX300_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		9 / 11 LEU A   5
ALA A   7
LEU A  20
ASP A  27
LEU A  28
VAL A  31
ILE A  50
PHE A  92
THR A 111
 MMV  A 202 (-4.2A)
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.9A)
MMV  A 202 ( 4.9A)
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
 0.34A 3frbX-6e4eA:
31.1		 3frbX-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FRB_X_TOPX300_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		9 / 11 LEU A   5
ALA A   7
LEU A  20
ASP A  27
VAL A  31
SER A  49
ILE A  50
PHE A  92
THR A 111
 MMV  A 202 (-4.2A)
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.9A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
 0.50A 3frbX-6e4eA:
31.1		 3frbX-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FRE_X_TOPX300_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		8 / 9 ALA A   7
LEU A  20
ASP A  27
LEU A  28
VAL A  31
ILE A  50
PHE A  92
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.9A)
MMV  A 202 ( 4.9A)
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
 0.44A 3freX-6e4eA:
30.9		 3freX-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FRE_X_TOPX300_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		8 / 9 ALA A   7
LEU A  20
ASP A  27
VAL A  31
SER A  49
ILE A  50
PHE A  92
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.9A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
 0.52A 3freX-6e4eA:
30.9		 3freX-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HBB_A_TMQA611_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 10 ALA A   8
ILE A  21
ASP A  28
PRO A  52
LEU A  58
ILE A  92
TYR A  98
 NAP  A 201 (-3.9A)
NAP  A 201 (-3.8A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
 0.71A 3hbbA-6cxmA:
19.5		 3hbbA-6cxmA:
8.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HBB_B_TMQB612_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 9 ALA A   8
ILE A  21
ASP A  28
THR A  47
SER A  50
ILE A  92
TYR A  98
 NAP  A 201 (-3.9A)
NAP  A 201 (-3.8A)
MMV  A 202 (-2.9A)
NAP  A 201 (-3.3A)
NAP  A 201 ( 3.9A)
MMV  A 202 ( 4.2A)
None
 0.77A 3hbbB-6cxmA:
18.1		 3hbbB-6cxmA:
8.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HBB_C_TMQC613_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 11 ALA A   8
ILE A  21
ASP A  28
LEU A  58
ILE A  92
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
NAP  A 201 (-3.8A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.46A 3hbbC-6cxmA:
9.4		 3hbbC-6cxmA:
8.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HBB_C_TMQC613_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 11 ILE A  21
ASP A  28
PRO A  52
LEU A  58
ILE A  92
TYR A  98
 NAP  A 201 (-3.8A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
 0.65A 3hbbC-6cxmA:
9.4		 3hbbC-6cxmA:
8.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HBB_C_TMQC613_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6e4e -
(-) 		5 / 11 ALA A   7
ASP A  27
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.62A 3hbbC-6e4eA:
19.0		 3hbbC-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HBB_D_TMQD614_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 10 ALA A   8
ASP A  28
PRO A  59
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.6A)
None
MMV  A 202 (-4.4A)
 1.05A 3hbbD-6cxmA:
19.4		 3hbbD-6cxmA:
8.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HBB_D_TMQD614_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 10 ALA A   8
ILE A  21
ASP A  28
ILE A  92
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
NAP  A 201 (-3.8A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.46A 3hbbD-6cxmA:
19.4		 3hbbD-6cxmA:
8.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HBB_D_TMQD614_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 10 ILE A  21
ASP A  28
PRO A  52
ILE A  92
TYR A  98
 NAP  A 201 (-3.8A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 ( 4.2A)
None
 0.59A 3hbbD-6cxmA:
19.4		 3hbbD-6cxmA:
8.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HJ3_A_MTXA605_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ALA A   8
ASP A  28
LEU A  29
PHE A  32
THR A  47
LEU A  58
ARG A  61
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.92A 3hj3A-6cxmA:
20.4		 3hj3A-6cxmA:
10.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HJ3_A_MTXA605_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 6e4e -
(-) 		9 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.75A 3hj3A-6e4eA:
22.3		 3hj3A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HJ3_B_MTXB609_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ALA A   8
ASP A  28
LEU A  29
PHE A  32
LEU A  58
TYR A  98
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
None
 1.00A 3hj3B-6cxmA:
20.6		 3hj3B-6cxmA:
10.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HJ3_B_MTXB609_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ALA A   8
ASP A  28
PHE A  32
THR A  47
LEU A  58
ARG A  61
TYR A  98
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 0.63A 3hj3B-6cxmA:
20.6		 3hj3B-6cxmA:
10.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HJ3_B_MTXB609_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 6e4e -
(-) 		6 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
LYS A  29
THR A  46
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
None
NAP  A 201 ( 3.3A)
 1.23A 3hj3B-6e4eA:
22.4		 3hj3B-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HJ3_B_MTXB609_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 6e4e -
(-) 		8 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
None
 0.70A 3hj3B-6e4eA:
22.4		 3hj3B-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HJ3_C_MTXC613_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ALA A   8
ASP A  28
LEU A  29
PHE A  32
LEU A  58
ARG A  61
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.95A 3hj3C-6cxmA:
10.7		 3hj3C-6cxmA:
10.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HJ3_C_MTXC613_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ALA A   8
ASP A  28
LEU A  29
PHE A  32
THR A  47
ARG A  61
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.96A 3hj3C-6cxmA:
10.7		 3hj3C-6cxmA:
10.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HJ3_C_MTXC613_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ALA A   8
ASP A  28
PHE A  32
LEU A  58
ARG A  61
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.69A 3hj3C-6cxmA:
10.7		 3hj3C-6cxmA:
10.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HJ3_C_MTXC613_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ALA A   8
ASP A  28
PHE A  32
THR A  47
ARG A  61
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.62A 3hj3C-6cxmA:
10.7		 3hj3C-6cxmA:
10.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HJ3_C_MTXC613_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 6e4e -
(-) 		8 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A  46
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
None
None
MMV  A 202 (-4.3A)
 0.64A 3hj3C-6e4eA:
21.0		 3hj3C-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HJ3_D_MTXD615_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A   8
ASP A  28
PHE A  32
LEU A  58
ARG A  61
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
 0.66A 3hj3D-6cxmA:
11.6		 3hj3D-6cxmA:
10.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HJ3_D_MTXD615_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ALA A   8
ASP A  28
PHE A  32
THR A  47
ARG A  61
TYR A  98
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-2.8A)
None
 0.57A 3hj3D-6cxmA:
11.6		 3hj3D-6cxmA:
10.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HJ3_D_MTXD615_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 6e4e -
(-) 		8 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
None
 0.76A 3hj3D-6e4eA:
11.7		 3hj3D-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IA4_A_MTXA164_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A   8
LEU A  29
LEU A  58
ARG A  61
TYR A  98
 NAP  A 201 (-3.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 1.04A 3ia4A-6cxmA:
21.4		 3ia4A-6cxmA:
29.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IA4_A_MTXA164_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ALA A   8
LYS A  33
SER A  50
LEU A  58
ARG A  61
TYR A  98
 NAP  A 201 (-3.9A)
MMV  A 202 ( 4.6A)
NAP  A 201 ( 3.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 0.77A 3ia4A-6cxmA:
21.4		 3ia4A-6cxmA:
29.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IA4_A_MTXA164_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		5 / 12 ALA A   7
LEU A  28
ILE A  50
LEU A  54
ARG A  57
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
 0.47A 3ia4A-6e4eA:
25.7		 3ia4A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IA4_A_MTXA164_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		5 / 12 ALA A   7
SER A  49
ILE A  50
LEU A  54
ARG A  57
 MMV  A 202 ( 3.5A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
 0.67A 3ia4A-6e4eA:
25.7		 3ia4A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IA4_A_MTXA164_2
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		4 / 4 ILE A   6
PHE A  32
ILE A  92
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.2A)
MMV  A 202 (-4.4A)
 0.25A 3ia4A-6cxmA:
21.5		 3ia4A-6cxmA:
29.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IA4_B_MTXB164_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ILE A   6
ALA A   8
LEU A  29
LEU A  58
ARG A  61
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 0.94A 3ia4B-6cxmA:
21.7		 3ia4B-6cxmA:
29.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IA4_B_MTXB164_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ILE A   6
ALA A   8
SER A  50
LEU A  58
ARG A  61
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
NAP  A 201 ( 3.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 0.63A 3ia4B-6cxmA:
21.7		 3ia4B-6cxmA:
29.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IA4_B_MTXB164_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		5 / 12 ALA A   7
LEU A  28
ILE A  50
LEU A  54
ARG A  57
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
 0.49A 3ia4B-6e4eA:
25.8		 3ia4B-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IA4_B_MTXB164_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		5 / 12 ALA A   7
SER A  49
ILE A  50
LEU A  54
ARG A  57
 MMV  A 202 ( 3.5A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
 0.67A 3ia4B-6e4eA:
25.8		 3ia4B-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IA4_B_MTXB164_2
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		4 / 4 PHE A  32
LYS A  33
ILE A  92
THR A 111
 MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
MMV  A 202 ( 4.2A)
MMV  A 202 (-4.4A)
 0.48A 3ia4B-6cxmA:
21.7		 3ia4B-6cxmA:
29.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IA4_C_MTXC164_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ALA A   8
LEU A  29
PHE A  32
LEU A  58
ARG A  61
TYR A  98
 NAP  A 201 (-3.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 0.89A 3ia4C-6cxmA:
21.6		 3ia4C-6cxmA:
29.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IA4_C_MTXC164_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A   8
PHE A  32
LYS A  33
SER A  50
TYR A  98
 NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 ( 3.9A)
None
 0.85A 3ia4C-6cxmA:
21.6		 3ia4C-6cxmA:
29.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IA4_C_MTXC164_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ALA A   8
PHE A  32
SER A  50
LEU A  58
ARG A  61
TYR A  98
 NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
NAP  A 201 ( 3.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 0.64A 3ia4C-6cxmA:
21.6		 3ia4C-6cxmA:
29.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IA4_C_MTXC164_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		5 / 12 ALA A   7
LEU A  28
ILE A  50
LEU A  54
ARG A  57
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
 0.45A 3ia4C-6e4eA:
25.6		 3ia4C-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IA4_D_MTXD164_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
ALA A   8
LEU A  29
PHE A  32
LEU A  58
ARG A  61
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 0.84A 3ia4D-6cxmA:
21.7		 3ia4D-6cxmA:
29.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IA4_D_MTXD164_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
PHE A  32
LYS A  33
SER A  50
LEU A  58
ARG A  61
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 ( 3.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 0.60A 3ia4D-6cxmA:
21.7		 3ia4D-6cxmA:
29.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IA4_D_MTXD164_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		5 / 12 ALA A   7
LEU A  28
ILE A  50
LEU A  54
ARG A  57
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
 0.45A 3ia4D-6e4eA:
25.8		 3ia4D-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IX9_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
TRP A   7
ALA A   8
LEU A  29
LEU A  58
ARG A  61
THR A 111
 MMV  A 202 (-4.0A)
None
NAP  A 201 (-3.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.93A 3ix9A-6cxmA:
20.5		 3ix9A-6cxmA:
27.06
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.
3IX9_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
TRP A   7
ALA A   8
LYS A  33
LEU A  58
ARG A  61
THR A 111
 MMV  A 202 (-4.0A)
None
NAP  A 201 (-3.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.66A 3ix9A-6cxmA:
20.5		 3ix9A-6cxmA:
27.06
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.
3IX9_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		6 / 12 ALA A   7
LEU A  20
LEU A  28
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-4.2A)
None
None
MMV  A 202 (-4.3A)
 0.55A 3ix9A-6e4eA:
25.0		 3ix9A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IX9_B_MTXB200_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ILE A   6
ALA A   8
LEU A  29
LEU A  58
ARG A  61
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 1.00A 3ix9B-6cxmA:
20.5		 3ix9B-6cxmA:
27.06
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.
3IX9_B_MTXB200_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ILE A   6
ALA A   8
LYS A  33
LEU A  58
ARG A  61
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.54A 3ix9B-6cxmA:
20.5		 3ix9B-6cxmA:
27.06
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.
3IX9_B_MTXB200_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		6 / 12 ALA A   7
LEU A  20
LEU A  28
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-4.2A)
None
None
MMV  A 202 (-4.3A)
 0.51A 3ix9B-6e4eA:
25.2		 3ix9B-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JW3_A_TOPA208_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		5 / 10 ALA A   7
LEU A  28
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.82A 3jw3A-6e4eA:
26.1		 3jw3A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JW3_A_TOPA208_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		5 / 10 ALA A   7
LEU A  28
VAL A  31
ILE A  50
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.9A)
MMV  A 202 ( 4.9A)
MMV  A 202 (-4.3A)
 0.49A 3jw3A-6e4eA:
26.1		 3jw3A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JW3_B_TOPB208_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		5 / 9 ALA A   7
LEU A  20
VAL A  31
ILE A  50
LEU A  54
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-4.9A)
MMV  A 202 ( 4.9A)
None
 0.57A 3jw3B-6e4eA:
26.2		 3jw3B-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JW5_A_TOPA208_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		7 / 11 ALA A   7
LEU A  20
LEU A  28
VAL A  31
ILE A  50
PHE A  92
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.9A)
MMV  A 202 ( 4.9A)
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
 0.49A 3jw5A-6e4eA:
26.0		 3jw5A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JW5_B_TOPB208_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		8 / 10 ALA A   7
LEU A  20
LEU A  28
VAL A  31
ILE A  50
LEU A  54
PHE A  92
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.9A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
 0.54A 3jw5B-6e4eA:
26.0		 3jw5B-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_A_LYAA514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ALA A   8
ASP A  28
THR A  47
LEU A  58
ARG A  61
TYR A  98
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 0.54A 3k2hA-6cxmA:
20.9		 3k2hA-6cxmA:
7.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_A_LYAA514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 6e4e -
(-) 		6 / 12 ALA A   7
ASP A  27
THR A  46
ILE A  50
LEU A  54
ARG A  57
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
None
 0.78A 3k2hA-6e4eA:
21.4		 3k2hA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_B_LYAB514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ALA A   8
ILE A  21
ASP A  28
LEU A  58
ARG A  61
TYR A  98
 NAP  A 201 (-3.9A)
NAP  A 201 (-3.8A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 0.57A 3k2hB-6cxmA:
10.7		 3k2hB-6cxmA:
7.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_B_LYAB514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 6e4e -
(-) 		5 / 12 ALA A   7
ASP A  27
ILE A  50
LEU A  54
ARG A  57
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.9A)
None
None
 0.75A 3k2hB-6e4eA:
20.7		 3k2hB-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N0H_A_TOPA187_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 11 ILE A   6
ALA A   8
PHE A  32
THR A  47
LEU A  58
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.4A)
 0.52A 3n0hA-6cxmA:
20.1		 3n0hA-6cxmA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N0H_A_TOPA187_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		5 / 11 ALA A   7
THR A  46
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.88A 3n0hA-6e4eA:
20.6		 3n0hA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NRR_A_D16A520_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A   8
ASP A  28
THR A  47
PRO A  52
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
NAP  A 201 (-3.3A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.4A)
 0.45A 3nrrA-6cxmA:
20.2		 3nrrA-6cxmA:
7.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NRR_A_D16A520_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6e4e -
(-) 		5 / 12 ALA A   7
ASP A  27
THR A  46
ILE A  50
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
MMV  A 202 (-4.3A)
 0.38A 3nrrA-6e4eA:
20.6		 3nrrA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NRR_B_D16B520_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A   8
ASP A  28
THR A  47
PRO A  52
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
NAP  A 201 (-3.3A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.4A)
 0.48A 3nrrB-6cxmA:
21.0		 3nrrB-6cxmA:
7.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NRR_B_D16B520_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6e4e -
(-) 		5 / 12 ALA A   7
ASP A  27
THR A  46
ILE A  50
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
MMV  A 202 (-4.3A)
 0.38A 3nrrB-6e4eA:
21.5		 3nrrB-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QFX_A_CP6A602_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ALA A   8
ASP A  28
LEU A  58
ILE A  92
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 1.28A 3qfxA-6cxmA:
19.1		 3qfxA-6cxmA:
16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QFX_A_CP6A602_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		10 / 12 ALA A   8
ILE A  21
ASP A  28
PHE A  32
THR A  47
SER A  50
LEU A  51
ILE A  92
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
NAP  A 201 (-3.8A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
NAP  A 201 ( 3.9A)
None
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.38A 3qfxA-6cxmA:
19.1		 3qfxA-6cxmA:
16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QFX_A_CP6A602_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6e4e -
(-) 		5 / 12 ALA A   7
ASP A  27
THR A  46
SER A  49
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
NAP  A 201 ( 3.3A)
NAP  A 201 (-4.2A)
MMV  A 202 (-4.3A)
 0.75A 3qfxA-6e4eA:
20.0		 3qfxA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QFX_B_CP6B702_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ALA A   8
ASP A  28
LEU A  58
ILE A  92
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 1.24A 3qfxB-6cxmA:
19.1		 3qfxB-6cxmA:
16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QFX_B_CP6B702_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		10 / 12 ALA A   8
ILE A  21
ASP A  28
PHE A  32
THR A  47
SER A  50
LEU A  51
ILE A  92
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
NAP  A 201 (-3.8A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
NAP  A 201 ( 3.9A)
None
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.38A 3qfxB-6cxmA:
19.1		 3qfxB-6cxmA:
16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QFX_B_CP6B702_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6e4e -
(-) 		5 / 12 ALA A   7
ASP A  27
THR A  46
SER A  49
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
NAP  A 201 ( 3.3A)
NAP  A 201 (-4.2A)
MMV  A 202 (-4.3A)
 0.75A 3qfxB-6e4eA:
20.0		 3qfxB-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QG2_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 10 ILE A   6
ALA A   8
ASP A  28
PHE A  32
SER A  50
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 ( 3.9A)
None
MMV  A 202 (-4.4A)
 0.33A 3qg2A-6cxmA:
18.8		 3qg2A-6cxmA:
13.43
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.
3QG2_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6e4e -
(-) 		5 / 10 ALA A   7
ASP A  27
SER A  49
ILE A  50
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
MMV  A 202 (-4.3A)
 0.88A 3qg2A-6e4eA:
20.4		 3qg2A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QG2_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 11 ILE A   6
ALA A   8
ASP A  28
PHE A  32
SER A  50
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 ( 3.9A)
None
MMV  A 202 (-4.4A)
 0.33A 3qg2B-6cxmA:
5.1		 3qg2B-6cxmA:
13.43
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.
3QG2_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6e4e -
(-) 		5 / 11 ALA A   7
ASP A  27
SER A  49
ILE A  50
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
MMV  A 202 (-4.3A)
 0.85A 3qg2B-6e4eA:
6.7		 3qg2B-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QGT_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 10 ALA A   8
ASP A  28
PHE A  32
SER A  50
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 ( 3.9A)
MMV  A 202 (-4.4A)
 0.85A 3qgtA-6cxmA:
18.8		 3qgtA-6cxmA:
13.43
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.
3QGT_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 10 ILE A   6
ALA A   8
ASP A  28
PHE A  32
SER A  50
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 ( 3.9A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.32A 3qgtA-6cxmA:
18.8		 3qgtA-6cxmA:
13.43
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.
3QGT_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6e4e -
(-) 		5 / 10 ALA A   7
ASP A  27
SER A  49
ILE A  50
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
MMV  A 202 (-4.3A)
 0.85A 3qgtA-6e4eA:
20.5		 3qgtA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QGT_B_CP6B609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 10 ALA A   8
ASP A  28
PHE A  32
SER A  50
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 ( 3.9A)
MMV  A 202 (-4.4A)
 0.87A 3qgtB-6cxmA:
10.0		 3qgtB-6cxmA:
13.43
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.
3QGT_B_CP6B609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 10 ILE A   6
ALA A   8
ASP A  28
PHE A  32
SER A  50
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 ( 3.9A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.32A 3qgtB-6cxmA:
10.0		 3qgtB-6cxmA:
13.43
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.
3QGT_B_CP6B609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6e4e -
(-) 		5 / 10 ALA A   7
ASP A  27
SER A  49
ILE A  50
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
MMV  A 202 (-4.3A)
 0.81A 3qgtB-6e4eA:
11.1		 3qgtB-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QL0_A_FOLA160_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
LEU A  29
PHE A  32
LEU A  58
ARG A  61
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.71A 3ql0A-6cxmA:
21.8		 3ql0A-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QL0_A_FOLA160_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
PHE A  32
LYS A  33
LEU A  58
ARG A  61
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.45A 3ql0A-6cxmA:
21.8		 3ql0A-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QL0_A_FOLA160_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		6 / 12 ALA A   7
LEU A  28
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.53A 3ql0A-6e4eA:
26.0		 3ql0A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QL3_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
ASP A  28
LEU A  29
ARG A  61
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.65A 3ql3A-6cxmA:
21.9		 3ql3A-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QL3_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
ASP A  28
LYS A  33
ARG A  61
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.74A 3ql3A-6cxmA:
21.9		 3ql3A-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QL3_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		6 / 12 ALA A   7
ASP A  27
LEU A  28
ILE A  50
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.38A 3ql3A-6e4eA:
26.0		 3ql3A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3V_A_TOPA187_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
ALA A   8
PHE A  32
THR A  47
LEU A  58
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.4A)
 0.53A 3s3vA-6cxmA:
20.0		 3s3vA-6cxmA:
21.47
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.
3S3V_A_TOPA187_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		5 / 12 ALA A   7
THR A  46
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.93A 3s3vA-6e4eA:
20.3		 3s3vA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TQ8_A_TOPA2001_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 9 ILE A   6
ALA A   8
ASP A  28
PHE A  32
SER A  50
ILE A  92
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 ( 3.9A)
MMV  A 202 ( 4.2A)
MMV  A 202 (-4.4A)
 0.50A 3tq8A-6cxmA:
22.1		 3tq8A-6cxmA:
28.47
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.
3TQ8_A_TOPA2001_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		6 / 9 ALA A   7
LEU A  20
ASP A  27
SER A  49
ILE A  50
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
MMV  A 202 (-4.3A)
 0.57A 3tq8A-6e4eA:
25.5		 3tq8A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TQ9_A_MTXA2001_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
ASP A  28
LYS A  33
LEU A  58
ARG A  61
ILE A  92
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
MMV  A 202 (-4.4A)
 0.56A 3tq9A-6cxmA:
21.9		 3tq9A-6cxmA:
28.47
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.
3TQ9_A_MTXA2001_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
ASP A  28
SER A  50
LEU A  58
ARG A  61
ILE A  92
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
NAP  A 201 ( 3.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
MMV  A 202 (-4.4A)
 0.54A 3tq9A-6cxmA:
21.9		 3tq9A-6cxmA:
28.47
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.
3TQ9_A_MTXA2001_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
ASP A  28
LEU A  29
LEU A  58
ARG A  61
ILE A  92
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
MMV  A 202 (-4.4A)
 0.78A 3tq9A-6cxmA:
21.9		 3tq9A-6cxmA:
28.47
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.
3TQ9_A_MTXA2001_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		7 / 12 ALA A   7
ASP A  27
SER A  49
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.66A 3tq9A-6e4eA:
25.1		 3tq9A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TQ9_A_MTXA2001_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		8 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.43A 3tq9A-6e4eA:
25.1		 3tq9A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TQB_A_FOLA2001_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 11 ALA A   8
ASP A  28
LYS A  33
THR A  47
LEU A  58
ARG A  61
ILE A  92
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
MMV  A 202 (-4.4A)
 0.49A 3tqbA-6cxmA:
21.5		 3tqbA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TQB_A_FOLA2001_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 11 ASP A  28
LEU A  29
THR A  47
LEU A  58
ARG A  61
ILE A  92
THR A 111
 MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
MMV  A 202 (-4.4A)
 0.82A 3tqbA-6cxmA:
21.5		 3tqbA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TQB_A_FOLA2001_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		9 / 11 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.59A 3tqbA-6e4eA:
24.5		 3tqbA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UM5_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 10 ILE A   6
ASP A  28
PHE A  32
THR A  47
SER A  50
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
NAP  A 201 ( 3.9A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.31A 3um5A-6cxmA:
18.8		 3um5A-6cxmA:
13.43
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.
3UM5_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6e4e -
(-) 		5 / 10 ASP A  27
THR A  46
SER A  49
ILE A  50
THR A 111
 MMV  A 202 (-2.9A)
NAP  A 201 ( 3.3A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
MMV  A 202 (-4.3A)
 0.91A 3um5A-6e4eA:
20.5		 3um5A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UM5_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 10 ILE A   6
ASP A  28
PHE A  32
THR A  47
SER A  50
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
NAP  A 201 ( 3.9A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.39A 3um5B-6cxmA:
12.0		 3um5B-6cxmA:
13.43
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.
3UM5_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6e4e -
(-) 		5 / 10 ASP A  27
THR A  46
SER A  49
ILE A  50
THR A 111
 MMV  A 202 (-2.9A)
NAP  A 201 ( 3.3A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
MMV  A 202 (-4.3A)
 0.91A 3um5B-6e4eA:
20.4		 3um5B-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CD2_A_FOLA207_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
PHE A  32
LYS A  33
THR A  47
LEU A  58
ARG A  61
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.64A 4cd2A-6cxmA:
18.0		 4cd2A-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CD2_A_FOLA207_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		5 / 12 ALA A   7
THR A  46
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
NAP  A 201 ( 3.3A)
None
None
MMV  A 202 (-4.3A)
 0.74A 4cd2A-6e4eA:
18.5		 4cd2A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DFR_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
ALA A   8
ASP A  28
LEU A  29
LEU A  58
ARG A  61
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 0.77A 4dfrA-6cxmA:
20.3		 4dfrA-6cxmA:
30.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DFR_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ILE A   6
ALA A   8
ASP A  28
LEU A  29
SER A  50
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
NAP  A 201 ( 3.9A)
None
 0.98A 4dfrA-6cxmA:
20.3		 4dfrA-6cxmA:
30.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DFR_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
ASP A  28
LYS A  33
THR A  47
LEU A  58
ARG A  61
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 0.57A 4dfrA-6cxmA:
20.3		 4dfrA-6cxmA:
30.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DFR_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ILE A   6
ALA A   8
ASP A  28
THR A  47
SER A  50
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
NAP  A 201 (-3.3A)
NAP  A 201 ( 3.9A)
None
 0.79A 4dfrA-6cxmA:
20.3		 4dfrA-6cxmA:
30.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DFR_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		8 / 12 ALA A   7
ASP A  27
LEU A  28
THR A  46
SER A  49
ILE A  50
LEU A  54
ARG A  57
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
 0.68A 4dfrA-6e4eA:
24.2		 4dfrA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DFR_B_MTXB162_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
ASP A  28
LEU A  29
LEU A  58
ARG A  61
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.68A 4dfrB-6cxmA:
20.7		 4dfrB-6cxmA:
30.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DFR_B_MTXB162_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
ASP A  28
LYS A  33
LEU A  58
ARG A  61
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.57A 4dfrB-6cxmA:
20.7		 4dfrB-6cxmA:
30.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DFR_B_MTXB162_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		7 / 12 ALA A   7
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.50A 4dfrB-6e4eA:
24.7		 4dfrB-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ECK_A_FOLA703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A   8
PHE A  32
LEU A  58
ARG A  61
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.65A 4eckA-6cxmA:
18.6		 4eckA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ECK_A_FOLA703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6e4e -
(-) 		5 / 12 ALA A   7
LEU A  20
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
None
None
MMV  A 202 (-4.3A)
 0.72A 4eckA-6e4eA:
19.3		 4eckA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ECK_B_FOLB703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ALA A   8
ASP A  28
PHE A  32
LEU A  58
ARG A  61
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.78A 4eckB-6cxmA:
18.3		 4eckB-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ECK_B_FOLB703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6e4e -
(-) 		6 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
None
None
MMV  A 202 (-4.3A)
 0.68A 4eckB-6e4eA:
19.3		 4eckB-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EIL_A_FOLA703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 ALA A   8
ASP A  28
LEU A  58
ARG A  61
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.34A 4eilA-6cxmA:
19.5		 4eilA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EIL_A_FOLA703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6e4e -
(-) 		5 / 11 ALA A   7
ASP A  27
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
None
None
MMV  A 202 (-4.3A)
 0.47A 4eilA-6e4eA:
20.9		 4eilA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EIL_B_FOLB703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 10 ALA A   8
ASP A  28
LEU A  58
ARG A  61
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.39A 4eilB-6cxmA:
19.5		 4eilB-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EIL_B_FOLB703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6e4e -
(-) 		5 / 10 ALA A   7
ASP A  27
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
None
None
MMV  A 202 (-4.3A)
 0.64A 4eilB-6e4eA:
20.9		 4eilB-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EIL_C_FOLC703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 ALA A   8
ASP A  28
LEU A  58
ARG A  61
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.37A 4eilC-6cxmA:
19.5		 4eilC-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EIL_C_FOLC703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6e4e -
(-) 		5 / 11 ALA A   7
ASP A  27
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
None
None
MMV  A 202 (-4.3A)
 0.51A 4eilC-6e4eA:
20.8		 4eilC-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EIL_E_FOLE703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 ALA A   8
ASP A  28
LEU A  58
ARG A  61
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.36A 4eilE-6cxmA:
20.1		 4eilE-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EIL_E_FOLE703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6e4e -
(-) 		5 / 11 ALA A   7
ASP A  27
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
None
None
MMV  A 202 (-4.3A)
 0.49A 4eilE-6e4eA:
21.4		 4eilE-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EIL_F_FOLF703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 9 ALA A   8
ASP A  28
LEU A  58
ARG A  61
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.39A 4eilF-6cxmA:
18.8		 4eilF-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EIL_F_FOLF703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6e4e -
(-) 		5 / 9 ALA A   7
ASP A  27
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
None
None
MMV  A 202 (-4.3A)
 0.62A 4eilF-6e4eA:
20.1		 4eilF-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EIL_G_FOLG703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 10 ALA A   8
ASP A  28
LEU A  58
ARG A  61
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.37A 4eilG-6cxmA:
19.4		 4eilG-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EIL_G_FOLG703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6e4e -
(-) 		5 / 10 ALA A   7
ASP A  27
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
None
None
MMV  A 202 (-4.3A)
 0.50A 4eilG-6e4eA:
20.9		 4eilG-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EIL_H_FOLH703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6e4e -
(-) 		5 / 9 ALA A   7
ASP A  27
LYS A  29
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
None
None
MMV  A 202 (-4.3A)
 0.93A 4eilH-6e4eA:
13.5		 4eilH-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EJ1_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
PHE A  32
LYS A  33
THR A  47
LEU A  58
ILE A  92
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
 0.49A 4ej1A-6cxmA:
20.2		 4ej1A-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EJ1_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
LEU A  29
PHE A  32
THR A  47
LEU A  58
ILE A  92
TYR A  98
 MMV  A 202 (-4.0A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
 0.80A 4ej1A-6cxmA:
20.2		 4ej1A-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EJ1_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		5 / 12 ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
 0.70A 4ej1A-6e4eA:
24.0		 4ej1A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EJ1_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
LEU A  29
PHE A  32
THR A  47
LEU A  58
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.4A)
 0.82A 4ej1B-6cxmA:
20.1		 4ej1B-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EJ1_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
PHE A  32
LYS A  33
THR A  47
LEU A  58
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.4A)
 0.56A 4ej1B-6cxmA:
20.1		 4ej1B-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EJ1_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		5 / 12 ALA A   7
LEU A  28
THR A  46
ILE A  50
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
MMV  A 202 (-4.3A)
 0.53A 4ej1B-6e4eA:
24.0		 4ej1B-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EJ1_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		5 / 12 ALA A   7
THR A  46
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.49A 4ej1B-6e4eA:
24.0		 4ej1B-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FHB_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		10 / 12 ILE A   6
ALA A   8
PHE A  32
LYS A  33
THR A  47
LEU A  58
ARG A  61
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.47A 4fhbA-6cxmA:
20.6		 4fhbA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FHB_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
LEU A  29
PHE A  32
THR A  47
LEU A  58
ARG A  61
ILE A  92
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
MMV  A 202 (-4.4A)
 0.78A 4fhbA-6cxmA:
20.6		 4fhbA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FHB_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		7 / 12 ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.61A 4fhbA-6e4eA:
24.8		 4fhbA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G8Z_X_TOPX301_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 10 ILE A   6
ALA A   8
PHE A  32
SER A  50
PRO A  52
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
NAP  A 201 ( 3.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.75A 4g8zX-6cxmA:
19.2		 4g8zX-6cxmA:
19.40
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.
4GH8_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
ASP A  28
LEU A  29
SER A  50
PRO A  52
LEU A  58
ARG A  61
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
NAP  A 201 ( 3.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 0.71A 4gh8A-6cxmA:
22.6		 4gh8A-6cxmA:
26.22
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.
4GH8_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		6 / 12 ALA A   7
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
 0.61A 4gh8A-6e4eA:
24.9		 4gh8A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GH8_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		5 / 12 ALA A   7
LEU A  28
SER A  49
ILE A  50
LEU A  54
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
None
 0.98A 4gh8A-6e4eA:
24.9		 4gh8A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GH8_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
ALA A   8
ASP A  28
LEU A  29
PRO A  52
ARG A  61
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-2.8A)
None
 0.72A 4gh8B-6cxmA:
22.4		 4gh8B-6cxmA:
26.22
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.
4GH8_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
ASP A  28
LYS A  33
SER A  50
PRO A  52
ARG A  61
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.6A)
NAP  A 201 ( 3.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-2.8A)
None
 0.55A 4gh8B-6cxmA:
22.4		 4gh8B-6cxmA:
26.22
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.
4GH8_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		5 / 12 ALA A   7
ASP A  27
LEU A  28
ILE A  50
ARG A  57
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
 0.40A 4gh8B-6e4eA:
24.6		 4gh8B-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I13_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
LEU A  29
PHE A  32
THR A  47
LEU A  58
ILE A  92
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
 0.72A 4i13A-6cxmA:
20.1		 4i13A-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I13_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
PHE A  32
LYS A  33
THR A  47
LEU A  58
ILE A  92
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
 0.46A 4i13A-6cxmA:
20.1		 4i13A-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I13_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		5 / 12 ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
 0.75A 4i13A-6e4eA:
23.8		 4i13A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I13_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 ASP A  28
ARG A  61
THR A 111
 MMV  A 202 (-2.9A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.34A 4i13A-6cxmA:
20.1		 4i13A-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I13_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		3 / 3 ASP A  27
ARG A  57
THR A 111
 MMV  A 202 (-2.9A)
None
MMV  A 202 (-4.3A)
 0.40A 4i13A-6e4eA:
23.8		 4i13A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I1N_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 ALA A   8
ASP A  28
LEU A  51
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
None
None
MMV  A 202 (-4.4A)
 1.17A 4i1nA-6cxmA:
20.0		 4i1nA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I1N_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 11 ILE A   6
ALA A   8
ASP A  28
PHE A  32
LYS A  33
LEU A  58
ARG A  61
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.54A 4i1nA-6cxmA:
20.0		 4i1nA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I1N_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 11 ILE A   6
ASP A  28
LEU A  29
PHE A  32
LEU A  58
ARG A  61
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.84A 4i1nA-6cxmA:
20.0		 4i1nA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I1N_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		6 / 11 ALA A   7
ASP A  27
LEU A  28
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
None
None
MMV  A 202 (-4.3A)
 0.61A 4i1nA-6e4eA:
23.8		 4i1nA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KEB_B_FOLB202_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
ALA A   8
PHE A  32
THR A  47
LEU A  58
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.4A)
 0.46A 4kebB-6cxmA:
20.3		 4kebB-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KEB_B_FOLB202_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		6 / 12 ALA A   7
LEU A  20
THR A  46
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.75A 4kebB-6e4eA:
20.5		 4kebB-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KFJ_B_FOLB202_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
ALA A   8
PHE A  32
PRO A  52
LEU A  58
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.4A)
 0.49A 4kfjB-6cxmA:
20.5		 4kfjB-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KFJ_B_FOLB202_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		5 / 12 ALA A   7
LEU A  20
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.77A 4kfjB-6e4eA:
20.6		 4kfjB-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KJJ_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
ALA A  30
PHE A  32
LYS A  33
THR A  47
LEU A  58
ILE A  92
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
None
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
 0.36A 4kjjA-6cxmA:
21.2		 4kjjA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KJJ_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		4 / 4 ASP A  28
LEU A  29
ARG A  61
THR A 111
 MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.90A 4kjjA-6cxmA:
21.2		 4kjjA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KJJ_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		4 / 4 ASP A  27
LEU A  28
ARG A  57
THR A 111
 MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.3A)
 0.45A 4kjjA-6e4eA:
24.9		 4kjjA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KJK_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
PHE A  32
LYS A  33
THR A  47
LEU A  58
ILE A  92
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
 0.50A 4kjkA-6cxmA:
21.8		 4kjkA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KJK_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		4 / 4 ASP A  28
LEU A  29
ARG A  61
THR A 111
 MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.91A 4kjkA-6cxmA:
21.8		 4kjkA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KJK_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		4 / 4 ASP A  27
LEU A  28
ARG A  57
THR A 111
 MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.3A)
 0.45A 4kjkA-6e4eA:
25.6		 4kjkA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KJL_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
ALA A   8
ARG A  56
LEU A  58
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
None
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 1.38A 4kjlA-6cxmA:
21.6		 4kjlA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KJL_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
PHE A  32
LYS A  33
THR A  47
LEU A  58
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.41A 4kjlA-6cxmA:
21.6		 4kjlA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KJL_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		5 / 12 ALA A   7
THR A  46
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.31A 4kjlA-6e4eA:
25.2		 4kjlA-6e4eA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KM0_A_CP6A201_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		10 / 10 ILE A   6
TRP A   7
ALA A   8
ASP A  28
PHE A  32
THR A  47
LEU A  51
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
None
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
None
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.52A 4km0A-6cxmA:
25.0		 4km0A-6cxmA:
49.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KM0_A_CP6A201_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 10 TRP A   7
ALA A   8
ASP A  28
LEU A  58
TYR A  98
THR A 111
 None
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.4A)
 1.02A 4km0A-6cxmA:
25.0		 4km0A-6cxmA:
49.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KM0_B_CP6B201_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		10 / 12 ILE A   6
TRP A   7
ALA A   8
ASP A  28
PHE A  32
THR A  47
LEU A  51
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
None
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
None
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.47A 4km0B-6cxmA:
25.1		 4km0B-6cxmA:
49.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KM0_B_CP6B201_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		10 / 12 ILE A   6
TRP A   7
ALA A   8
ILE A  21
ASP A  28
PHE A  32
LEU A  51
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
None
NAP  A 201 (-3.9A)
NAP  A 201 (-3.8A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
None
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.50A 4km0B-6cxmA:
25.1		 4km0B-6cxmA:
49.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KM0_B_CP6B201_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 TRP A   7
ALA A   8
ILE A  21
ASP A  28
LEU A  58
ILE A  92
TYR A  98
THR A 111
 None
NAP  A 201 (-3.9A)
NAP  A 201 (-3.8A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 1.40A 4km0B-6cxmA:
25.1		 4km0B-6cxmA:
49.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KM2_A_TOPA202_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A   8
ILE A  21
VAL A  55
ILE A  92
TYR A  98
 NAP  A 201 (-3.9A)
NAP  A 201 (-3.8A)
MMV  A 202 (-4.8A)
MMV  A 202 ( 4.2A)
None
 0.78A 4km2A-6cxmA:
25.6		 4km2A-6cxmA:
49.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KM2_A_TOPA202_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ALA A   8
THR A  47
LEU A  51
VAL A  55
ILE A  92
TYR A  98
 NAP  A 201 (-3.9A)
NAP  A 201 (-3.3A)
None
MMV  A 202 (-4.8A)
MMV  A 202 ( 4.2A)
None
 0.72A 4km2A-6cxmA:
25.6		 4km2A-6cxmA:
49.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KM2_A_TOPA202_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		10 / 12 ILE A   6
ALA A   8
ASP A  28
PHE A  32
THR A  47
LEU A  51
LEU A  58
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
None
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.61A 4km2A-6cxmA:
25.6		 4km2A-6cxmA:
49.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KM2_A_TOPA202_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
ILE A  21
ASP A  28
PHE A  32
LEU A  58
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
NAP  A 201 (-3.8A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.56A 4km2A-6cxmA:
25.6		 4km2A-6cxmA:
49.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KM2_B_TOPB202_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
ASP A  28
PHE A  32
LEU A  51
LEU A  58
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
None
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.54A 4km2B-6cxmA:
25.1		 4km2B-6cxmA:
49.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KM2_B_TOPB202_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
ILE A  21
ASP A  28
PHE A  32
LEU A  58
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
NAP  A 201 (-3.8A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.50A 4km2B-6cxmA:
25.1		 4km2B-6cxmA:
49.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KM2_B_TOPB202_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ILE A   6
ILE A  21
VAL A  55
LEU A  58
ILE A  92
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.8A)
MMV  A 202 (-4.8A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
 0.91A 4km2B-6cxmA:
25.1		 4km2B-6cxmA:
49.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KM2_B_TOPB202_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
PHE A  32
THR A  47
LEU A  51
LEU A  58
ILE A  92
TYR A  98
 MMV  A 202 (-4.0A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
None
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
 0.48A 4km2B-6cxmA:
25.1		 4km2B-6cxmA:
49.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KM2_B_TOPB202_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
THR A  47
LEU A  51
VAL A  55
LEU A  58
ILE A  92
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.3A)
None
MMV  A 202 (-4.8A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
 0.64A 4km2B-6cxmA:
25.1		 4km2B-6cxmA:
49.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_A_MTXA603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ALA A   8
ASP A  28
SER A  50
LEU A  58
ARG A  61
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
NAP  A 201 ( 3.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.74A 4ky8A-6cxmA:
2.4		 4ky8A-6cxmA:
10.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_A_MTXA603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 6e4e -
(-) 		8 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.73A 4ky8A-6e4eA:
9.2		 4ky8A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_A_MTXA603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 6e4e -
(-) 		6 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
LYS A  29
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.3A)
 1.11A 4ky8A-6e4eA:
9.2		 4ky8A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_A_MTXA603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 6e4e -
(-) 		6 / 12 ALA A   7
SER A  49
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.85A 4ky8A-6e4eA:
9.2		 4ky8A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_B_MTXB603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A   8
ASP A  28
LEU A  58
ARG A  61
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.58A 4ky8B-6cxmA:
14.4		 4ky8B-6cxmA:
10.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_B_MTXB603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A   8
ASP A  28
SER A  50
ARG A  61
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
NAP  A 201 ( 3.9A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.71A 4ky8B-6cxmA:
14.4		 4ky8B-6cxmA:
10.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_B_MTXB603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ASP A  28
LEU A  29
LEU A  58
ARG A  61
THR A 111
 MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 1.06A 4ky8B-6cxmA:
14.4		 4ky8B-6cxmA:
10.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_B_MTXB603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 6e4e -
(-) 		8 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.69A 4ky8B-6e4eA:
15.7		 4ky8B-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_B_MTXB603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 6e4e -
(-) 		8 / 12 ALA A   7
LEU A  20
ASP A  27
SER A  49
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.86A 4ky8B-6e4eA:
15.7		 4ky8B-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_C_MTXC603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A   8
ASP A  28
LEU A  58
ARG A  61
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.60A 4ky8C-6cxmA:
20.2		 4ky8C-6cxmA:
10.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_C_MTXC603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 6e4e -
(-) 		6 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
LYS A  29
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.3A)
 1.14A 4ky8C-6e4eA:
21.8		 4ky8C-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_C_MTXC603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 6e4e -
(-) 		9 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
SER A  49
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.73A 4ky8C-6e4eA:
21.8		 4ky8C-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_D_MTXD603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A   8
ASP A  28
LEU A  58
ARG A  61
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.61A 4ky8D-6cxmA:
7.6		 4ky8D-6cxmA:
10.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_D_MTXD603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A   8
ASP A  28
SER A  50
ARG A  61
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
NAP  A 201 ( 3.9A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.75A 4ky8D-6cxmA:
7.6		 4ky8D-6cxmA:
10.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_D_MTXD603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 6e4e -
(-) 		8 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.75A 4ky8D-6e4eA:
18.3		 4ky8D-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_D_MTXD603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 6e4e -
(-) 		6 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
LYS A  29
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.3A)
 1.10A 4ky8D-6e4eA:
18.3		 4ky8D-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_D_MTXD603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 6e4e -
(-) 		8 / 12 ALA A   7
LEU A  20
ASP A  27
SER A  49
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.89A 4ky8D-6e4eA:
18.3		 4ky8D-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_E_MTXE603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A   8
ASP A  28
LEU A  58
ARG A  61
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.62A 4ky8E-6cxmA:
20.3		 4ky8E-6cxmA:
10.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_E_MTXE603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A   8
ASP A  28
SER A  50
ARG A  61
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
NAP  A 201 ( 3.9A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.71A 4ky8E-6cxmA:
20.3		 4ky8E-6cxmA:
10.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_E_MTXE603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 6e4e -
(-) 		8 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.73A 4ky8E-6e4eA:
21.8		 4ky8E-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_E_MTXE603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 6e4e -
(-) 		6 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
LYS A  29
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.3A)
 1.09A 4ky8E-6e4eA:
21.8		 4ky8E-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_E_MTXE603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 6e4e -
(-) 		7 / 12 ALA A   7
LEU A  20
SER A  49
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.89A 4ky8E-6e4eA:
21.8		 4ky8E-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_A_FOLA703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 11 ALA A   8
ASP A  28
THR A  47
LEU A  58
ARG A  61
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.46A 4kyaA-6cxmA:
19.5		 4kyaA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_A_FOLA703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6e4e -
(-) 		5 / 11 ALA A   7
ASP A  27
THR A  46
LEU A  40
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
NAP  A 201 ( 3.3A)
None
MMV  A 202 (-4.3A)
 1.04A 4kyaA-6e4eA:
20.8		 4kyaA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_A_FOLA703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6e4e -
(-) 		6 / 11 ALA A   7
ASP A  27
THR A  46
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
NAP  A 201 ( 3.3A)
None
None
MMV  A 202 (-4.3A)
 0.56A 4kyaA-6e4eA:
20.8		 4kyaA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_B_FOLB703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A   8
ASP A  28
LEU A  58
ARG A  61
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.45A 4kyaB-6cxmA:
19.4		 4kyaB-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_B_FOLB703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6e4e -
(-) 		5 / 12 ALA A   7
ASP A  27
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
None
None
MMV  A 202 (-4.3A)
 0.67A 4kyaB-6e4eA:
20.8		 4kyaB-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_C_FOLC703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 10 ALA A   8
ASP A  28
LEU A  58
ARG A  61
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.46A 4kyaC-6cxmA:
14.1		 4kyaC-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_C_FOLC703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6e4e -
(-) 		5 / 10 ALA A   7
ASP A  27
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
None
None
MMV  A 202 (-4.3A)
 0.57A 4kyaC-6e4eA:
15.1		 4kyaC-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_D_FOLD703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A   8
ASP A  28
LEU A  58
ARG A  61
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.44A 4kyaD-6cxmA:
4.1		 4kyaD-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_D_FOLD703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6e4e -
(-) 		5 / 12 ALA A   7
ASP A  27
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
None
None
MMV  A 202 (-4.3A)
 0.67A 4kyaD-6e4eA:
4.2		 4kyaD-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_E_FOLE703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 11 ALA A   8
ASP A  28
THR A  47
LEU A  58
ARG A  61
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.46A 4kyaE-6cxmA:
19.5		 4kyaE-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_E_FOLE703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6e4e -
(-) 		5 / 11 ALA A   7
ASP A  27
THR A  46
LEU A  40
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
NAP  A 201 ( 3.3A)
None
MMV  A 202 (-4.3A)
 1.05A 4kyaE-6e4eA:
20.8		 4kyaE-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_E_FOLE703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6e4e -
(-) 		6 / 11 ALA A   7
ASP A  27
THR A  46
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
NAP  A 201 ( 3.3A)
None
None
MMV  A 202 (-4.3A)
 0.55A 4kyaE-6e4eA:
20.8		 4kyaE-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_F_FOLF703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A   8
ASP A  28
LEU A  58
ARG A  61
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.45A 4kyaF-6cxmA:
undetectable		 4kyaF-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_F_FOLF703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6e4e -
(-) 		5 / 12 ALA A   7
ASP A  27
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
None
None
MMV  A 202 (-4.3A)
 0.66A 4kyaF-6e4eA:
undetectable		 4kyaF-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_G_FOLG703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 11 ALA A   8
ASP A  28
THR A  47
LEU A  58
ARG A  61
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.46A 4kyaG-6cxmA:
19.5		 4kyaG-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_G_FOLG703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6e4e -
(-) 		5 / 11 ALA A   7
ASP A  27
THR A  46
LEU A  40
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
NAP  A 201 ( 3.3A)
None
MMV  A 202 (-4.3A)
 1.06A 4kyaG-6e4eA:
20.7		 4kyaG-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_G_FOLG703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6e4e -
(-) 		6 / 11 ALA A   7
ASP A  27
THR A  46
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
NAP  A 201 ( 3.3A)
None
None
MMV  A 202 (-4.3A)
 0.58A 4kyaG-6e4eA:
20.7		 4kyaG-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_H_FOLH703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A   8
ASP A  28
LEU A  58
ARG A  61
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.45A 4kyaH-6cxmA:
18.7		 4kyaH-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_H_FOLH703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6e4e -
(-) 		5 / 12 ALA A   7
ASP A  27
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
None
None
MMV  A 202 (-4.3A)
 0.70A 4kyaH-6e4eA:
20.0		 4kyaH-6e4eA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M2X_A_TMQA202_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		10 / 12 ILE A   6
ALA A   8
ILE A  21
ASP A  28
PHE A  32
LEU A  51
PRO A  52
LEU A  58
ILE A  92
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
NAP  A 201 (-3.8A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
None
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
 0.38A 4m2xA-6cxmA:
26.8		 4m2xA-6cxmA:
47.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M2X_C_TMQC202_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
ALA A   8
ASP A  28
LEU A  58
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 1.24A 4m2xC-6cxmA:
9.1		 4m2xC-6cxmA:
47.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M2X_C_TMQC202_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		10 / 12 ILE A   6
ALA A   8
ILE A  21
ASP A  28
LEU A  51
PRO A  52
LEU A  58
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
NAP  A 201 (-3.8A)
MMV  A 202 (-2.9A)
None
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.41A 4m2xC-6cxmA:
9.1		 4m2xC-6cxmA:
47.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M2X_E_TMQE202_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
ILE A  21
ASP A  28
LEU A  51
PRO A  52
LEU A  58
ILE A  92
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
NAP  A 201 (-3.8A)
MMV  A 202 (-2.9A)
None
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
 0.39A 4m2xE-6cxmA:
9.3		 4m2xE-6cxmA:
47.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M2X_G_TMQG202_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ALA A   8
ASP A  28
LEU A  58
ILE A  92
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 1.31A 4m2xG-6cxmA:
9.0		 4m2xG-6cxmA:
47.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M2X_G_TMQG202_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		10 / 12 ILE A   6
ALA A   8
ILE A  21
ASP A  28
LEU A  51
PRO A  52
VAL A  55
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
NAP  A 201 (-3.8A)
MMV  A 202 (-2.9A)
None
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.51A 4m2xG-6cxmA:
9.0		 4m2xG-6cxmA:
47.71
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.
4M6K_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
PHE A  32
THR A  47
PRO A  52
LEU A  58
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.4A)
 0.45A 4m6kA-6cxmA:
20.2		 4m6kA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M6K_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		6 / 12 ALA A   7
LEU A  20
THR A  46
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.66A 4m6kA-6e4eA:
21.0		 4m6kA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NX6_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ALA A   8
PHE A  32
LYS A  33
THR A  47
LEU A  58
ILE A  92
TYR A  98
 NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
 0.68A 4nx6A-6cxmA:
21.9		 4nx6A-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NX6_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 LEU A  29
PHE A  32
THR A  47
LEU A  58
ILE A  92
 MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
 0.81A 4nx6A-6cxmA:
21.9		 4nx6A-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NX6_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		5 / 12 ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
 0.52A 4nx6A-6e4eA:
26.1		 4nx6A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NX6_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		4 / 4 ILE A   6
ASP A  28
ARG A  61
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-2.9A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.32A 4nx6A-6cxmA:
21.9		 4nx6A-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NX7_A_FOLA202_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ALA A   8
PHE A  32
LYS A  33
THR A  47
LEU A  58
ILE A  92
TYR A  98
 NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
 0.73A 4nx7A-6cxmA:
22.0		 4nx7A-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NX7_A_FOLA202_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 LEU A  29
PHE A  32
THR A  47
LEU A  58
ILE A  92
 MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
 0.78A 4nx7A-6cxmA:
22.0		 4nx7A-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NX7_A_FOLA202_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		5 / 12 ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
 0.53A 4nx7A-6e4eA:
26.1		 4nx7A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NX7_A_FOLA202_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		4 / 4 ILE A   6
ASP A  28
ARG A  61
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-2.9A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.32A 4nx7A-6cxmA:
22.0		 4nx7A-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P3Q_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
PHE A  32
LYS A  33
THR A  47
LEU A  58
PRO A  59
ILE A  92
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.6A)
MMV  A 202 ( 4.2A)
None
 0.77A 4p3qA-6cxmA:
21.9		 4p3qA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P3Q_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		5 / 12 ALA A   7
THR A  46
ILE A  50
LEU A  54
PRO A  55
 MMV  A 202 ( 3.5A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
None
 0.52A 4p3qA-6e4eA:
25.9		 4p3qA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P3Q_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		4 / 5 ASP A  28
LEU A  29
ARG A  61
THR A 111
 MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.72A 4p3qA-6cxmA:
21.9		 4p3qA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P3Q_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		4 / 5 ASP A  27
LEU A  28
ARG A  57
THR A 111
 MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.3A)
 0.45A 4p3qA-6e4eA:
25.9		 4p3qA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P3R_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
PHE A  32
LYS A  33
THR A  47
LEU A  58
ILE A  92
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
 0.52A 4p3rA-6cxmA:
22.0		 4p3rA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P3R_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ILE A   6
LEU A  29
PHE A  32
THR A  47
LEU A  58
ILE A  92
 MMV  A 202 (-4.0A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
 0.78A 4p3rA-6cxmA:
22.0		 4p3rA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P3R_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		5 / 12 ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
 0.57A 4p3rA-6e4eA:
26.1		 4p3rA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P3R_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 ASP A  28
ARG A  61
THR A 111
 MMV  A 202 (-2.9A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.36A 4p3rA-6cxmA:
22.0		 4p3rA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P3R_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		3 / 3 ASP A  27
ARG A  57
THR A 111
 MMV  A 202 (-2.9A)
None
MMV  A 202 (-4.3A)
 0.43A 4p3rA-6e4eA:
26.1		 4p3rA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P66_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 11 ILE A   6
ALA A   8
ASP A  28
LEU A  29
LEU A  58
ARG A  61
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.64A 4p66A-6cxmA:
21.9		 4p66A-6cxmA:
29.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P66_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 11 ILE A   6
ALA A   8
ASP A  28
LYS A  33
LEU A  58
ARG A  61
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.42A 4p66A-6cxmA:
21.9		 4p66A-6cxmA:
29.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P66_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		6 / 11 ALA A   7
ASP A  27
LEU A  28
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
None
None
MMV  A 202 (-4.3A)
 0.45A 4p66A-6e4eA:
26.0		 4p66A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P68_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 11 ILE A   6
ASP A  28
PHE A  32
LYS A  33
SER A  50
ARG A  61
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 ( 3.9A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.38A 4p68A-6cxmA:
21.7		 4p68A-6cxmA:
29.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PSS_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		4 / 4 ASP A  28
LYS A  33
ARG A  61
THR A 111
 MMV  A 202 (-2.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.51A 4pssA-6cxmA:
undetectable		 4pssA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PST_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ALA A   8
PHE A  32
LYS A  33
THR A  47
LEU A  58
ILE A  92
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.48A 4pstA-6cxmA:
undetectable		 4pstA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PST_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 LEU A  29
PHE A  32
THR A  47
LEU A  58
ILE A  92
THR A 111
 MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
MMV  A 202 (-4.4A)
 0.76A 4pstA-6cxmA:
undetectable		 4pstA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PST_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		6 / 12 ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.45A 4pstA-6e4eA:
undetectable		 4pstA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PST_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 ILE A   6
ASP A  28
ARG A  61
 MMV  A 202 (-4.0A)
MMV  A 202 (-2.9A)
MMV  A 202 (-2.8A)
 0.36A 4pstA-6cxmA:
undetectable		 4pstA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PSY_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
ALA A  30
PHE A  32
LYS A  33
LEU A  58
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
None
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.4A)
 0.42A 4psyA-6cxmA:
22.0		 4psyA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PSY_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
LEU A  29
ALA A  30
PHE A  32
LEU A  58
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-4.7A)
None
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.4A)
 0.72A 4psyA-6cxmA:
22.0		 4psyA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PSY_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		5 / 12 ALA A   7
LEU A  28
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.50A 4psyA-6e4eA:
26.1		 4psyA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PTH_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
LYS A  33
THR A  47
LEU A  58
ARG A  61
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.53A 4pthA-6cxmA:
21.8		 4pthA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PTH_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		6 / 12 ALA A   7
THR A  46
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.45A 4pthA-6e4eA:
25.9		 4pthA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PTJ_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
PHE A  32
THR A  47
ARG A  61
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.28A 4ptjA-6cxmA:
21.8		 4ptjA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PTJ_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
LEU A  29
PHE A  32
THR A  47
ARG A  61
ILE A  92
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
MMV  A 202 (-4.4A)
 0.73A 4ptjA-6cxmA:
21.8		 4ptjA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PTJ_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		6 / 12 ALA A   7
LEU A  28
THR A  46
ILE A  50
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.43A 4ptjA-6e4eA:
25.8		 4ptjA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PTJ_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 ASP A  28
LYS A  33
LEU A  58
 MMV  A 202 (-2.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
 0.67A 4ptjA-6cxmA:
21.8		 4ptjA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_A_MTXA604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ALA A   8
ASP A  28
LEU A  29
LEU A  58
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.4A)
 1.05A 4q0dA-6cxmA:
20.1		 4q0dA-6cxmA:
10.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_A_MTXA604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ALA A   8
ASP A  28
LEU A  58
ARG A  61
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.56A 4q0dA-6cxmA:
20.1		 4q0dA-6cxmA:
10.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_A_MTXA604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6e4e -
(-) 		8 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.68A 4q0dA-6e4eA:
22.2		 4q0dA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_B_MTXB604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ALA A   8
ASP A  28
LEU A  29
LEU A  58
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.4A)
 1.06A 4q0dB-6cxmA:
20.2		 4q0dB-6cxmA:
10.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_B_MTXB604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ALA A   8
ASP A  28
LEU A  58
ARG A  61
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.57A 4q0dB-6cxmA:
20.2		 4q0dB-6cxmA:
10.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_B_MTXB604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6e4e -
(-) 		8 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.68A 4q0dB-6e4eA:
22.2		 4q0dB-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_C_MTXC604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ALA A   8
ASP A  28
LEU A  29
LEU A  58
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.4A)
 1.06A 4q0dC-6cxmA:
20.1		 4q0dC-6cxmA:
10.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_C_MTXC604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ALA A   8
ASP A  28
LEU A  29
SER A  50
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
NAP  A 201 ( 3.9A)
None
MMV  A 202 (-4.4A)
 0.95A 4q0dC-6cxmA:
20.1		 4q0dC-6cxmA:
10.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_C_MTXC604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ALA A   8
ASP A  28
LEU A  58
ARG A  61
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.56A 4q0dC-6cxmA:
20.1		 4q0dC-6cxmA:
10.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_C_MTXC604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6e4e -
(-) 		5 / 12 ALA A   7
ASP A  27
LYS A  29
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
None
None
MMV  A 202 (-4.3A)
 1.30A 4q0dC-6e4eA:
22.1		 4q0dC-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_C_MTXC604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6e4e -
(-) 		8 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
SER A  49
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 (-4.2A)
None
None
MMV  A 202 (-4.3A)
 0.66A 4q0dC-6e4eA:
22.1		 4q0dC-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_D_MTXD604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ALA A   8
ASP A  28
LEU A  29
LEU A  58
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.4A)
 1.06A 4q0dD-6cxmA:
20.1		 4q0dD-6cxmA:
10.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_D_MTXD604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ALA A   8
ASP A  28
LEU A  29
SER A  50
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
NAP  A 201 ( 3.9A)
None
MMV  A 202 (-4.4A)
 0.96A 4q0dD-6cxmA:
20.1		 4q0dD-6cxmA:
10.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_D_MTXD604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ALA A   8
ASP A  28
LEU A  58
ARG A  61
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.57A 4q0dD-6cxmA:
20.1		 4q0dD-6cxmA:
10.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_D_MTXD604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6e4e -
(-) 		5 / 12 ALA A   7
ASP A  27
LYS A  29
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
None
None
MMV  A 202 (-4.3A)
 1.30A 4q0dD-6e4eA:
22.1		 4q0dD-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_D_MTXD604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6e4e -
(-) 		8 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
SER A  49
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 (-4.2A)
None
None
MMV  A 202 (-4.3A)
 0.67A 4q0dD-6e4eA:
22.1		 4q0dD-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_E_MTXE604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ALA A   8
ASP A  28
LEU A  29
LEU A  58
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.4A)
 1.06A 4q0dE-6cxmA:
20.2		 4q0dE-6cxmA:
10.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_E_MTXE604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ALA A   8
ASP A  28
LEU A  58
ARG A  61
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.57A 4q0dE-6cxmA:
20.2		 4q0dE-6cxmA:
10.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_E_MTXE604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6e4e -
(-) 		8 / 12 ALA A   7
LEU A  20
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.68A 4q0dE-6e4eA:
22.2		 4q0dE-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QI9_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
ALA A   8
ASP A  28
LEU A  29
LEU A  58
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.4A)
 0.89A 4qi9A-6cxmA:
18.5		 4qi9A-6cxmA:
30.00
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.
4QI9_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
ALA A   8
ASP A  28
LEU A  29
SER A  50
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
NAP  A 201 ( 3.9A)
None
MMV  A 202 (-4.4A)
 0.88A 4qi9A-6cxmA:
18.5		 4qi9A-6cxmA:
30.00
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.
4QI9_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
ASP A  28
LYS A  33
LEU A  58
ARG A  61
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.54A 4qi9A-6cxmA:
18.5		 4qi9A-6cxmA:
30.00
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.
4QI9_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		8 / 12 ALA A   7
ASP A  27
LEU A  28
SER A  49
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.64A 4qi9A-6e4eA:
22.6		 4qi9A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QI9_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
ASP A  28
LEU A  29
LEU A  58
ARG A  61
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.77A 4qi9B-6cxmA:
18.9		 4qi9B-6cxmA:
30.00
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.
4QI9_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
ALA A   8
ASP A  28
LEU A  29
SER A  50
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
NAP  A 201 ( 3.9A)
None
MMV  A 202 (-4.4A)
 0.83A 4qi9B-6cxmA:
18.9		 4qi9B-6cxmA:
30.00
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.
4QI9_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
ASP A  28
LYS A  33
LEU A  58
ARG A  61
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.55A 4qi9B-6cxmA:
18.9		 4qi9B-6cxmA:
30.00
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.
4QI9_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		8 / 12 ALA A   7
ASP A  27
LEU A  28
SER A  49
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.62A 4qi9B-6e4eA:
23.2		 4qi9B-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QI9_C_MTXC201_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 11 ILE A   6
ALA A   8
ASP A  28
LYS A  33
LEU A  58
ARG A  61
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.57A 4qi9C-6cxmA:
18.3		 4qi9C-6cxmA:
30.00
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.
4QI9_C_MTXC201_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 11 ILE A   6
ALA A   8
ASP A  28
SER A  50
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
NAP  A 201 ( 3.9A)
None
MMV  A 202 (-4.4A)
 0.65A 4qi9C-6cxmA:
18.3		 4qi9C-6cxmA:
30.00
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.
4QI9_C_MTXC201_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		7 / 11 ALA A   7
ASP A  27
SER A  49
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.59A 4qi9C-6e4eA:
22.2		 4qi9C-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QLE_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
ASP A  28
LEU A  29
PHE A  32
THR A  47
LEU A  58
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.4A)
 0.72A 4qleA-6cxmA:
21.1		 4qleA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QLE_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
ASP A  28
PHE A  32
LYS A  33
THR A  47
LEU A  58
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.4A)
 0.43A 4qleA-6cxmA:
21.1		 4qleA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QLE_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		7 / 12 ALA A   7
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.55A 4qleA-6e4eA:
24.9		 4qleA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QLE_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		5 / 12 ALA A   7
ASP A  27
THR A  46
LEU A  40
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
NAP  A 201 ( 3.3A)
None
MMV  A 202 (-4.3A)
 1.15A 4qleA-6e4eA:
24.9		 4qleA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QLE_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 11 ILE A   6
ALA A   8
ASP A  28
LEU A  29
LEU A  58
ARG A  61
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.78A 4qleB-6cxmA:
21.0		 4qleB-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QLE_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 11 ILE A   6
ALA A   8
ASP A  28
LEU A  29
SER A  50
ARG A  61
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
NAP  A 201 ( 3.9A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.90A 4qleB-6cxmA:
21.0		 4qleB-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QLE_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 11 ILE A   6
ALA A   8
ASP A  28
LYS A  33
LEU A  58
ARG A  61
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.52A 4qleB-6cxmA:
21.0		 4qleB-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QLE_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 11 ILE A   6
ALA A   8
ASP A  28
SER A  50
ARG A  61
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
NAP  A 201 ( 3.9A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.63A 4qleB-6cxmA:
21.0		 4qleB-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QLE_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		8 / 11 ALA A   7
ASP A  27
LEU A  28
SER A  49
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.64A 4qleB-6e4eA:
24.8		 4qleB-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QLF_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 11 ILE A   6
ALA A   8
ASP A  28
LEU A  29
PHE A  32
LEU A  58
ARG A  61
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.75A 4qlfA-6cxmA:
18.2		 4qlfA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QLF_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 11 ILE A   6
ALA A   8
ASP A  28
PHE A  32
LYS A  33
LEU A  58
ARG A  61
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.71A 4qlfA-6cxmA:
18.2		 4qlfA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QLF_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		7 / 11 ALA A   7
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.51A 4qlfA-6e4eA:
21.6		 4qlfA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QLG_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A   8
ASP A  28
LEU A  51
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
None
None
MMV  A 202 (-4.4A)
 1.14A 4qlgA-6cxmA:
20.9		 4qlgA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QLG_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
ASP A  28
LEU A  29
PHE A  32
LEU A  58
ARG A  61
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.73A 4qlgA-6cxmA:
20.9		 4qlgA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QLG_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
ASP A  28
PHE A  32
LYS A  33
LEU A  58
ARG A  61
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.53A 4qlgA-6cxmA:
20.9		 4qlgA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QLG_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		7 / 12 ALA A   7
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.60A 4qlgA-6e4eA:
24.6		 4qlgA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QLG_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		10 / 12 ILE A   6
ALA A   8
ASP A  28
PHE A  32
LYS A  33
THR A  47
LEU A  58
ARG A  61
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.56A 4qlgB-6cxmA:
20.7		 4qlgB-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QLG_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ASP A  28
LEU A  29
PHE A  32
THR A  47
LEU A  58
ARG A  61
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.80A 4qlgB-6cxmA:
20.7		 4qlgB-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QLG_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		8 / 12 ALA A   7
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.57A 4qlgB-6e4eA:
24.4		 4qlgB-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RGC_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A   8
ASP A  28
LEU A  51
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
None
None
MMV  A 202 (-4.4A)
 1.11A 4rgcA-6cxmA:
22.0		 4rgcA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RGC_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
ASP A  28
PHE A  32
LYS A  33
LEU A  58
ARG A  61
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.45A 4rgcA-6cxmA:
22.0		 4rgcA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RGC_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
ASP A  28
LEU A  29
PHE A  32
LEU A  58
ARG A  61
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.76A 4rgcA-6cxmA:
22.0		 4rgcA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RGC_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		7 / 12 ALA A   7
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.55A 4rgcA-6e4eA:
26.1		 4rgcA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5F_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
PHE A  32
LYS A  33
THR A  47
LEU A  58
ARG A  61
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.48A 4x5fA-6cxmA:
20.6		 4x5fA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5F_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
LEU A  29
PHE A  32
LYS A  33
THR A  47
LEU A  58
ARG A  61
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.79A 4x5fA-6cxmA:
20.6		 4x5fA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5F_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		7 / 12 ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.54A 4x5fA-6e4eA:
24.7		 4x5fA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5F_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
PHE A  32
LYS A  33
THR A  47
LEU A  58
ARG A  61
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.79A 4x5fB-6cxmA:
20.7		 4x5fB-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5F_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
LEU A  29
PHE A  32
THR A  47
LEU A  58
ARG A  61
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.76A 4x5fB-6cxmA:
20.7		 4x5fB-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5F_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		7 / 12 ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.54A 4x5fB-6e4eA:
24.8		 4x5fB-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5G_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A   8
ASP A  28
LEU A  51
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
None
None
MMV  A 202 (-4.4A)
 1.14A 4x5gA-6cxmA:
20.6		 4x5gA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5G_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
ASP A  28
PHE A  32
LYS A  33
THR A  47
LEU A  58
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.4A)
 0.47A 4x5gA-6cxmA:
20.6		 4x5gA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5G_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ASP A  28
LEU A  29
PHE A  32
LYS A  33
THR A  47
LEU A  58
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.4A)
 0.79A 4x5gA-6cxmA:
20.6		 4x5gA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5G_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		7 / 12 ALA A   7
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.53A 4x5gA-6e4eA:
24.8		 4x5gA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5G_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		5 / 12 ALA A   7
ASP A  27
THR A  46
LEU A  40
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
NAP  A 201 ( 3.3A)
None
MMV  A 202 (-4.3A)
 1.15A 4x5gA-6e4eA:
24.8		 4x5gA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5G_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
LYS A  33
THR A  47
LEU A  58
ARG A  61
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.75A 4x5gB-6cxmA:
20.8		 4x5gB-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5G_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
LEU A  29
THR A  47
LEU A  58
ARG A  61
ILE A  92
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-4.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
MMV  A 202 (-4.4A)
 0.78A 4x5gB-6cxmA:
20.8		 4x5gB-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5G_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		7 / 12 ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.56A 4x5gB-6e4eA:
25.0		 4x5gB-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5H_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
ALA A   8
LEU A  29
PHE A  32
THR A  47
LEU A  58
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.4A)
 0.71A 4x5hA-6cxmA:
20.3		 4x5hA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5H_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
PHE A  32
LYS A  33
THR A  47
LEU A  58
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.4A)
 0.64A 4x5hA-6cxmA:
20.3		 4x5hA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5H_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		6 / 12 ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.60A 4x5hA-6e4eA:
24.3		 4x5hA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5I_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		10 / 12 ILE A   6
ALA A   8
LEU A  29
PHE A  32
LYS A  33
THR A  47
LEU A  58
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.82A 4x5iA-6cxmA:
20.3		 4x5iA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5I_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		5 / 12 ALA A   7
LEU A  28
THR A  46
ILE A  50
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
MMV  A 202 (-4.3A)
 0.39A 4x5iA-6e4eA:
24.2		 4x5iA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5I_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		5 / 12 ALA A   7
THR A  46
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.46A 4x5iA-6e4eA:
24.2		 4x5iA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5J_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
LEU A  29
PHE A  32
THR A  47
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.68A 4x5jA-6cxmA:
20.2		 4x5jA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5J_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
PHE A  32
LYS A  33
THR A  47
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.57A 4x5jA-6cxmA:
20.2		 4x5jA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5J_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		5 / 12 ALA A   7
LEU A  28
THR A  46
ILE A  50
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
MMV  A 202 (-4.3A)
 0.48A 4x5jA-6e4eA:
24.1		 4x5jA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E8Q_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
ALA A   8
LEU A  29
PHE A  32
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.68A 5e8qA-6cxmA:
20.5		 5e8qA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E8Q_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
PHE A  32
LYS A  33
THR A  47
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.50A 5e8qA-6cxmA:
20.5		 5e8qA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E8Q_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		5 / 12 ALA A   7
LEU A  28
THR A  46
ILE A  50
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
MMV  A 202 (-4.3A)
 0.45A 5e8qA-6e4eA:
24.3		 5e8qA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E8Q_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 ASP A  28
LEU A  58
ARG A  61
 MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
 0.51A 5e8qA-6cxmA:
20.5		 5e8qA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E8Q_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		3 / 3 ASP A  27
LEU A  54
ARG A  57
 MMV  A 202 (-2.9A)
None
None
 0.51A 5e8qA-6e4eA:
24.3		 5e8qA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E8Q_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
PHE A  32
LYS A  33
THR A  47
LEU A  58
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.4A)
 0.46A 5e8qB-6cxmA:
12.6		 5e8qB-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E8Q_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ILE A   6
LEU A  29
PHE A  32
LEU A  58
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.4A)
 0.91A 5e8qB-6cxmA:
12.6		 5e8qB-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E8Q_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		6 / 12 ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.63A 5e8qB-6e4eA:
24.8		 5e8qB-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EAJ_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
PHE A  32
LYS A  33
THR A  47
LEU A  58
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.49A 5eajA-6cxmA:
20.5		 5eajA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EAJ_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ILE A   6
LEU A  29
PHE A  32
LEU A  58
ILE A  92
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
MMV  A 202 (-4.4A)
 0.81A 5eajA-6cxmA:
20.5		 5eajA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EAJ_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		6 / 12 ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.69A 5eajA-6e4eA:
24.3		 5eajA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EAJ_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
PHE A  32
LYS A  33
THR A  47
LEU A  58
PRO A  59
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.6A)
None
MMV  A 202 (-4.4A)
 0.44A 5eajB-6cxmA:
20.8		 5eajB-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EAJ_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
LEU A  29
PHE A  32
THR A  47
LEU A  58
PRO A  59
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.6A)
MMV  A 202 (-4.4A)
 0.84A 5eajB-6cxmA:
20.8		 5eajB-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EAJ_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		7 / 12 ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
PRO A  55
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.61A 5eajB-6e4eA:
24.8		 5eajB-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HI6_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
ASP A  28
LEU A  29
LEU A  58
ARG A  61
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.81A 5hi6A-6cxmA:
20.5		 5hi6A-6cxmA:
29.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HI6_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
ALA A   8
ASP A  28
LEU A  29
SER A  50
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
NAP  A 201 ( 3.9A)
None
MMV  A 202 (-4.4A)
 0.83A 5hi6A-6cxmA:
20.5		 5hi6A-6cxmA:
29.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HI6_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
ASP A  28
LYS A  33
LEU A  58
ARG A  61
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.58A 5hi6A-6cxmA:
20.5		 5hi6A-6cxmA:
29.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HI6_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		8 / 12 ALA A   7
ASP A  27
LEU A  28
SER A  49
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.64A 5hi6A-6e4eA:
24.4		 5hi6A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HI6_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
ASP A  28
LYS A  33
SER A  50
LEU A  58
ARG A  61
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.6A)
NAP  A 201 ( 3.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.90A 5hi6B-6cxmA:
20.4		 5hi6B-6cxmA:
29.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HI6_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
ASP A  28
LEU A  29
LEU A  58
ARG A  61
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.85A 5hi6B-6cxmA:
20.4		 5hi6B-6cxmA:
29.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HI6_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		7 / 12 ALA A   7
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.55A 5hi6B-6e4eA:
24.6		 5hi6B-6e4eA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5UIH_A_8CVA201_1
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 8 ILE A   6
ALA A   8
ASP A  28
LEU A  29
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.58A 5uihA-6cxmA:
20.1		 5uihA-6cxmA:
41.30
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.
5UIH_A_8CVA201_1
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		4 / 8 ALA A   7
ASP A  27
LEU A  28
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.3A)
 0.30A 5uihA-6e4eA:
23.9		 5uihA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UJX_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
LEU A  29
PHE A  32
LEU A  58
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.76A 5ujxA-6cxmA:
20.5		 5ujxA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UJX_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
PHE A  32
LYS A  33
THR A  47
LEU A  58
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.50A 5ujxA-6cxmA:
20.5		 5ujxA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UJX_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		6 / 12 ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.70A 5ujxA-6e4eA:
24.3		 5ujxA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UJX_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
PHE A  32
LYS A  33
THR A  47
LEU A  58
ARG A  61
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.45A 5ujxB-6cxmA:
12.8		 5ujxB-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UJX_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
LEU A  29
PHE A  32
THR A  47
LEU A  58
ARG A  61
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.79A 5ujxB-6cxmA:
12.8		 5ujxB-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UJX_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		7 / 12 ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.58A 5ujxB-6e4eA:
24.8		 5ujxB-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z6F_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A   6
ALA A   8
PHE A  32
LYS A  33
THR A  47
ARG A  61
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.43A 5z6fA-6cxmA:
21.7		 5z6fA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z6F_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 12 ILE A   6
LEU A  29
PHE A  32
THR A  47
ARG A  61
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.73A 5z6fA-6cxmA:
21.7		 5z6fA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z6F_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		6 / 12 ALA A   7
LEU A  28
THR A  46
ILE A  50
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.41A 5z6fA-6e4eA:
25.9		 5z6fA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z6J_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
PHE A  32
LYS A  33
THR A  47
LEU A  58
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.39A 5z6jA-6cxmA:
21.9		 5z6jA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z6J_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ILE A   6
LEU A  29
PHE A  32
LEU A  58
ILE A  92
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
MMV  A 202 (-4.4A)
 0.81A 5z6jA-6cxmA:
21.9		 5z6jA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z6J_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		6 / 12 ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.55A 5z6jA-6e4eA:
26.2		 5z6jA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z6K_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
PHE A  32
LYS A  33
THR A  47
LEU A  58
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.40A 5z6kA-6cxmA:
21.9		 5z6kA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z6K_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ILE A   6
LEU A  29
PHE A  32
LEU A  58
ILE A  92
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
MMV  A 202 (-4.4A)
 0.83A 5z6kA-6cxmA:
21.9		 5z6kA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z6K_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		6 / 12 ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.59A 5z6kA-6e4eA:
26.1		 5z6kA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z6L_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 9 ILE A   6
ALA A   8
ASP A  28
LYS A  33
PRO A  59
ARG A  61
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.6A)
MMV  A 202 (-2.8A)
 0.47A 5z6lA-6cxmA:
21.6		 5z6lA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z6L_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		6 / 9 ALA A   7
ASP A  27
LEU A  28
ILE A  50
PRO A  55
ARG A  57
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
 0.63A 5z6lA-6e4eA:
25.4		 5z6lA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z6M_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 11 ALA A   8
ASP A  28
LEU A  58
ILE A  92
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 1.00A 5z6mA-6cxmA:
21.0		 5z6mA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z6M_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		7 / 11 ILE A   6
ALA A   8
PHE A  32
LEU A  58
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.70A 5z6mA-6cxmA:
21.0		 5z6mA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z6M_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 11 ILE A   6
LEU A  29
PHE A  32
LEU A  58
ILE A  92
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
MMV  A 202 (-4.4A)
 1.18A 5z6mA-6cxmA:
21.0		 5z6mA-6cxmA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AOG_A_CP6A704_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 10 ALA A   8
ASP A  28
PHE A  32
THR A  47
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
None
MMV  A 202 (-4.4A)
 0.26A 6aogA-6cxmA:
19.5		 6aogA-6cxmA:
36.05
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)		 6e4e -
(-) 		5 / 10 ALA A   7
ASP A  27
HIS A  30
THR A  46
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
None
NAP  A 201 ( 3.3A)
MMV  A 202 (-4.3A)
 0.36A 6aogA-6e4eA:
20.6		 6aogA-6e4eA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AOG_B_CP6B704_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		6 / 10 ALA A   8
ASP A  28
PHE A  32
THR A  47
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
None
MMV  A 202 (-4.4A)
 0.28A 6aogB-6cxmA:
19.4		 6aogB-6cxmA:
36.05
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.
7DFR_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 6cxm DIHYDROFOLATE
REDUCTASE
(Mycolicibacteriu
m
smegmatis) 		9 / 12 ILE A   6
ALA A   8
PHE A  32
LYS A  33
THR A  47
LEU A  58
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.50A 7dfrA-6cxmA:
21.6		 7dfrA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
7DFR_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 6e4e -
(-) 		5 / 12 ALA A   7
THR A  46
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.40A 7dfrA-6e4eA:
25.7		 7dfrA-6e4eA:
undetectable