SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'C2F'


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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1AXW_A_MTXA732_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		9 / 12 LYS A  48
HIS A  51
ILE A  79
TRP A  83
LEU A 143
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 ( 3.9A)
C2F  A 302 (-3.9A)
C2F  A 302 (-3.3A)
C2F  A 302 (-3.9A)
C2F  A 302 (-4.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.40A 1axwA-4fogA:
40.7		 1axwA-4fogA:
66.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1AXW_B_MTXB733_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		8 / 11 LYS A  48
ILE A  79
TRP A  80
TRP A  83
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 ( 3.9A)
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-3.9A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.40A 1axwB-4fogA:
40.5		 1axwB-4fogA:
66.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1B02_A_C2FA281_0
(PROTEIN (THYMIDYLATE
SYNTHASE))		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		7 / 11 ILE A  79
TRP A  80
TRP A  83
LEU A 143
ASP A 169
GLY A 173
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-3.9A)
C2F  A 302 (-4.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 ( 4.6A)
 0.48A 1b02A-4fogA:
34.1		 1b02A-4fogA:
36.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HRK_A_CHDA1502_0
(FERROCHELATASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		4 / 8 MET A 555
LEU A 368
VAL A 571
GLY A 570
 None
None
None
C2F  A3001 (-3.5A)
 0.85A 1hrkA-5vopA:
undetectable		 1hrkA-5vopA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HRK_B_CHDB2502_0
(FERROCHELATASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		4 / 8 MET A 555
LEU A 368
VAL A 571
GLY A 570
 None
None
None
C2F  A3001 (-3.5A)
 0.86A 1hrkB-5vopA:
undetectable		 1hrkB-5vopA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_A_D16A414_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		6 / 12 GLU A  58
ILE A  79
TRP A  80
ASP A 169
GLY A 173
TYR A 209
 None
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 ( 4.6A)
 0.45A 1hvyA-4fogA:
38.0		 1hvyA-4fogA:
50.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_A_D16A414_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		6 / 12 ILE A  79
TRP A  80
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.81A 1hvyA-4fogA:
38.0		 1hvyA-4fogA:
50.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_B_D16B415_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		7 / 12 GLU A  58
ILE A  79
TRP A  80
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 None
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.75A 1hvyB-4fogA:
38.1		 1hvyB-4fogA:
50.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_C_D16C416_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		6 / 11 GLU A  58
ILE A  79
TRP A  80
ASP A 169
GLY A 173
TYR A 209
 None
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 ( 4.6A)
 0.47A 1hvyC-4fogA:
38.2		 1hvyC-4fogA:
50.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_C_D16C416_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 11 ILE A  79
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.77A 1hvyC-4fogA:
38.2		 1hvyC-4fogA:
50.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_D_D16D417_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		7 / 12 GLU A  58
ILE A  79
TRP A  80
LEU A 143
ASP A 169
GLY A 173
TYR A 209
 None
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-4.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 ( 4.6A)
 0.55A 1hvyD-4fogA:
38.3		 1hvyD-4fogA:
50.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_D_D16D417_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		6 / 12 ILE A  79
LEU A 143
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 (-4.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.83A 1hvyD-4fogA:
38.3		 1hvyD-4fogA:
50.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I00_A_D16A315_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		6 / 9 GLU A  58
ILE A  79
TRP A  80
ASP A 169
GLY A 173
TYR A 209
 None
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 ( 4.6A)
 0.57A 1i00A-4fogA:
36.5		 1i00A-4fogA:
49.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I00_A_D16A315_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		6 / 9 ILE A  79
TRP A  80
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.93A 1i00A-4fogA:
36.5		 1i00A-4fogA:
49.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I00_B_D16B409_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 9 ILE A  79
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.98A 1i00B-4fogA:
22.0		 1i00B-4fogA:
49.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I00_B_D16B409_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		6 / 9 ILE A  79
TRP A  80
ASP A 169
GLY A 173
ASN A 177
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
UFP  A 301 (-2.8A)
C2F  A 302 ( 4.6A)
 0.80A 1i00B-4fogA:
22.0		 1i00B-4fogA:
49.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IBG_H_OBNH1_1
(IGG2B-KAPPA 40-50
FAB (HEAVY CHAIN))		 3ijd UNCHARACTERIZED
PROTEIN
(Ruminiclostridiu
m
thermocellum) 		4 / 6 LEU A 231
TRP A 230
PHE A 227
VAL A 282
 C2F  A 314 (-3.9A)
None
C2F  A 315 (-3.7A)
C2F  A 315 (-4.7A)
 1.30A 1ibgH-3ijdA:
undetectable		 1ibgH-3ijdA:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1J96_A_TESA903_1
(3ALPHA-HYDROXYSTEROI
D DEHYDROGENASE TYPE
3)		 3ijd UNCHARACTERIZED
PROTEIN
(Ruminiclostridiu
m
thermocellum) 		4 / 6 TYR A  78
VAL A 284
ILE A 289
LEU A  49
 None
C2F  A 315 (-4.1A)
C2F  A 315 (-4.5A)
None
 1.12A 1j96A-3ijdA:
9.6		 1j96A-3ijdA:
25.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		6 / 11 ILE A  79
TRP A  80
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.54A 1ju6A-4fogA:
38.1		 1ju6A-4fogA:
46.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JU6_B_LYAB315_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		6 / 9 LYS A  48
ILE A  79
TRP A  80
ASP A 169
GLY A 173
TYR A 209
 C2F  A 302 ( 3.9A)
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 ( 4.6A)
 0.50A 1ju6B-4fogA:
38.1		 1ju6B-4fogA:
46.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JU6_C_LYAC315_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		6 / 10 ILE A  79
TRP A  80
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.54A 1ju6C-4fogA:
38.1		 1ju6C-4fogA:
46.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JU6_D_LYAD315_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		6 / 11 LYS A  48
ILE A  79
TRP A  80
ASP A 169
GLY A 173
TYR A 209
 C2F  A 302 ( 3.9A)
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 ( 4.6A)
 0.51A 1ju6D-4fogA:
38.2		 1ju6D-4fogA:
46.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_A_LYAA315_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		7 / 10 LYS A  48
ILE A  79
TRP A  80
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 ( 3.9A)
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.47A 1jujA-4fogA:
37.5		 1jujA-4fogA:
46.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_B_LYAB315_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		7 / 10 LYS A  48
ILE A  79
TRP A  80
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 ( 3.9A)
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.47A 1jujB-4fogA:
37.5		 1jujB-4fogA:
46.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_C_LYAC315_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		7 / 10 LYS A  48
ILE A  79
TRP A  80
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 ( 3.9A)
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.47A 1jujC-4fogA:
37.5		 1jujC-4fogA:
46.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_D_LYAD315_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		7 / 10 LYS A  48
ILE A  79
TRP A  80
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 ( 3.9A)
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.47A 1jujD-4fogA:
37.5		 1jujD-4fogA:
46.65
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.
1Q8J_A_C2FA801_0
(5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		9 / 12 ASN A  10
ARG A   8
ASP A  76
ASN A  97
ILE A 121
ASP A 161
GLY A 197
SER A 199
ARG A 208
 C2F  A3000 ( 4.8A)
None
C2F  A3000 (-3.4A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.2A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.6A)
GOL  A1270 ( 3.9A)
C2F  A3000 ( 2.6A)
 0.93A 1q8jA-2ycjA:
13.6		 1q8jA-2ycjA:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q8J_A_C2FA801_0
(5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		10 / 12 GLU A   7
ASN A  10
ASP A  76
ASN A  97
ILE A 121
ASP A 161
GLY A 197
SER A 199
ARG A 208
ILE A 228
 C2F  A3000 ( 4.1A)
C2F  A3000 ( 4.8A)
C2F  A3000 (-3.4A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.2A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.6A)
GOL  A1270 ( 3.9A)
C2F  A3000 ( 2.6A)
C2F  A3000 (-4.6A)
 0.37A 1q8jA-2ycjA:
13.6		 1q8jA-2ycjA:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q8J_A_C2FA801_0
(5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		8 / 12 ASN A  10
ASP A  76
ASN A  97
ILE A 121
ASP A 161
GLY A 196
SER A 198
ILE A 227
 C2F  A3000 ( 4.5A)
C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.1A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 3.8A)
C2F  A3000 (-4.3A)
 1.11A 1q8jA-4o1eA:
29.8		 1q8jA-4o1eA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q8J_A_C2FA801_0
(5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		8 / 12 ASP A  76
ASN A  97
ILE A 121
ASP A 161
GLY A 196
SER A 198
ARG A 207
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.1A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 3.8A)
None
C2F  A3000 (-4.3A)
 1.14A 1q8jA-4o1eA:
29.8		 1q8jA-4o1eA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q8J_A_C2FA801_0
(5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		8 / 12 GLU A   7
ASN A  10
ASP A  76
ASN A  97
ILE A 121
ASP A 161
GLY A 196
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 ( 4.5A)
C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.1A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.5A)
C2F  A3000 (-4.3A)
 0.55A 1q8jA-4o1eA:
29.8		 1q8jA-4o1eA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q8J_A_C2FA801_0
(5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		5 / 12 ARG A 374
ASP A 531
GLY A 570
SER A 572
ARG A 583
 None
C2F  A3001 (-2.5A)
C2F  A3001 (-3.5A)
C2F  A3001 ( 4.5A)
C2F  A3001 (-3.0A)
 1.13A 1q8jA-5vopA:
27.4		 1q8jA-5vopA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q8J_A_C2FA801_0
(5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		5 / 12 ASN A 376
ASP A 411
ASP A 531
GLY A 570
ARG A 583
 NA  A3005 (-3.0A)
C2F  A3001 ( 3.8A)
C2F  A3001 (-2.5A)
C2F  A3001 (-3.5A)
C2F  A3001 (-3.0A)
 1.46A 1q8jA-5vopA:
27.4		 1q8jA-5vopA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q8J_A_C2FA801_0
(5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		5 / 12 ASP A 443
ASN A 464
GLY A 570
PHE A 535
ILE A 603
 C2F  A3001 (-2.5A)
C2F  A3001 (-2.2A)
C2F  A3001 (-3.5A)
None
C2F  A3001 (-3.5A)
 1.43A 1q8jA-5vopA:
27.4		 1q8jA-5vopA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q8J_A_C2FA801_0
(5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		9 / 12 GLU A 373
ASN A 376
ASP A 443
ASN A 464
ASP A 531
GLY A 570
SER A 572
ARG A 583
ILE A 603
 C2F  A3001 (-3.7A)
NA  A3005 (-3.0A)
C2F  A3001 (-2.5A)
C2F  A3001 (-2.2A)
C2F  A3001 (-2.5A)
C2F  A3001 (-3.5A)
C2F  A3001 ( 4.5A)
C2F  A3001 (-3.0A)
C2F  A3001 (-3.5A)
 0.39A 1q8jA-5vopA:
27.4		 1q8jA-5vopA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q8J_A_C2FA801_0
(5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		9 / 12 GLU A 373
ASN A 376
ASP A 443
ASN A 464
GLY A 570
SER A 572
PHE A 576
ARG A 583
ILE A 603
 C2F  A3001 (-3.7A)
NA  A3005 (-3.0A)
C2F  A3001 (-2.5A)
C2F  A3001 (-2.2A)
C2F  A3001 (-3.5A)
C2F  A3001 ( 4.5A)
C2F  A3001 (-4.7A)
C2F  A3001 (-3.0A)
C2F  A3001 (-3.5A)
 0.95A 1q8jA-5vopA:
27.4		 1q8jA-5vopA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q8J_B_C2FB802_0
(5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		9 / 12 ASN A  10
ASN A  97
SER A  98
ILE A 121
GLY A 197
SER A 199
ASN A 200
ARG A 208
ILE A 228
 C2F  A3000 ( 4.8A)
C2F  A3000 (-3.0A)
None
C2F  A3000 ( 4.2A)
C2F  A3000 (-3.6A)
GOL  A1270 ( 3.9A)
C2F  A3000 (-3.1A)
C2F  A3000 ( 2.6A)
C2F  A3000 (-4.6A)
 0.67A 1q8jB-2ycjA:
13.6		 1q8jB-2ycjA:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q8J_B_C2FB802_0
(5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		10 / 12 GLU A   7
ASN A  10
ASP A  76
ASN A  97
ILE A 121
GLY A 197
SER A 199
ASN A 200
ARG A 208
ILE A 228
 C2F  A3000 ( 4.1A)
C2F  A3000 ( 4.8A)
C2F  A3000 (-3.4A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.2A)
C2F  A3000 (-3.6A)
GOL  A1270 ( 3.9A)
C2F  A3000 (-3.1A)
C2F  A3000 ( 2.6A)
C2F  A3000 (-4.6A)
 0.47A 1q8jB-2ycjA:
13.6		 1q8jB-2ycjA:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q8J_B_C2FB802_0
(5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		6 / 12 ASN A  10
ASN A  97
SER A  98
ILE A 121
SER A 198
ILE A 227
 C2F  A3000 ( 4.5A)
C2F  A3000 (-3.0A)
None
C2F  A3000 ( 4.1A)
C2F  A3000 ( 3.8A)
C2F  A3000 (-4.3A)
 1.10A 1q8jB-4o1eA:
12.7		 1q8jB-4o1eA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q8J_B_C2FB802_0
(5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		7 / 12 ASN A  10
ASP A  76
ASN A  97
ILE A 121
GLY A 196
SER A 198
ILE A 227
 C2F  A3000 ( 4.5A)
C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.1A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 3.8A)
C2F  A3000 (-4.3A)
 1.17A 1q8jB-4o1eA:
12.7		 1q8jB-4o1eA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q8J_B_C2FB802_0
(5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		6 / 12 ASP A  76
ASN A  97
ILE A 121
GLY A 196
ASN A 199
ARG A 207
 C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.1A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 4.3A)
None
 1.06A 1q8jB-4o1eA:
12.7		 1q8jB-4o1eA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q8J_B_C2FB802_0
(5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		6 / 12 ASP A  76
ASN A  97
ILE A 121
GLY A 196
SER A 198
ARG A 207
 C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.1A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 3.8A)
None
 1.23A 1q8jB-4o1eA:
12.7		 1q8jB-4o1eA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q8J_B_C2FB802_0
(5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		6 / 12 GLU A   7
ASN A  10
ASN A  97
SER A  98
ILE A 121
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 ( 4.5A)
C2F  A3000 (-3.0A)
None
C2F  A3000 ( 4.1A)
C2F  A3000 (-4.3A)
 0.73A 1q8jB-4o1eA:
12.7		 1q8jB-4o1eA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q8J_B_C2FB802_0
(5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		7 / 12 GLU A   7
ASN A  10
ASP A  76
ASN A  97
ILE A 121
GLY A 196
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 ( 4.5A)
C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.1A)
C2F  A3000 (-3.5A)
C2F  A3000 (-4.3A)
 0.52A 1q8jB-4o1eA:
12.7		 1q8jB-4o1eA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q8J_B_C2FB802_0
(5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		5 / 12 ASN A 376
ASN A 464
SER A 465
GLY A 570
SER A 572
 NA  A3005 (-3.0A)
C2F  A3001 (-2.2A)
None
C2F  A3001 (-3.5A)
C2F  A3001 ( 4.5A)
 0.80A 1q8jB-5vopA:
25.6		 1q8jB-5vopA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q8J_B_C2FB802_0
(5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		9 / 12 GLU A 373
ASN A 376
ASP A 443
ASN A 464
GLY A 570
SER A 572
ASN A 573
ARG A 583
ILE A 603
 C2F  A3001 (-3.7A)
NA  A3005 (-3.0A)
C2F  A3001 (-2.5A)
C2F  A3001 (-2.2A)
C2F  A3001 (-3.5A)
C2F  A3001 ( 4.5A)
C2F  A3001 (-2.6A)
C2F  A3001 (-3.0A)
C2F  A3001 (-3.5A)
 0.51A 1q8jB-5vopA:
25.6		 1q8jB-5vopA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RTS_A_D16A309_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		4 / 8 ILE A  79
ASP A 169
GLY A 173
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 ( 4.6A)
 0.56A 1rtsA-4fogA:
36.6		 1rtsA-4fogA:
47.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1RTS_B_D16B409_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		4 / 7 ILE A  79
ASP A 169
GLY A 173
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 ( 4.6A)
 0.42A 1rtsB-4fogA:
37.5		 1rtsB-4fogA:
47.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TLS_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		9 / 12 HIS A  51
SER A  54
ILE A  79
TRP A  80
TRP A  83
LEU A 143
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 (-3.9A)
C2F  A 302 (-3.4A)
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-3.9A)
C2F  A 302 (-4.8A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.47A 1tlsA-4fogA:
40.8		 1tlsA-4fogA:
66.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TLS_B_C2FB266_0
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		9 / 12 HIS A  51
SER A  54
ILE A  79
TRP A  80
TRP A  83
LEU A 143
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 (-3.9A)
C2F  A 302 (-3.4A)
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-3.9A)
C2F  A 302 (-4.8A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.55A 1tlsB-4fogA:
40.7		 1tlsB-4fogA:
66.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TSN_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		9 / 12 HIS A  51
SER A  54
ILE A  79
TRP A  80
TRP A  83
LEU A 143
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 (-3.9A)
C2F  A 302 (-3.4A)
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-3.9A)
C2F  A 302 (-4.8A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.38A 1tsnA-4fogA:
40.7		 1tsnA-4fogA:
66.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1U1J_A_C2FA773_0
(5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE)		 1xpg 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE
(Thermotoga
maritima) 		7 / 8 ARG A  15
LYS A  18
ASN A 109
HIS A 111
SER A 489
ARG A 493
TRP A 539
 C2F  A1882 ( 4.6A)
C2F  A1882 (-2.4A)
C2F  A1882 (-3.7A)
None
C2F  A1882 (-3.0A)
C2F  A1882 ( 3.5A)
C2F  A1882 (-3.7A)
 0.86A 1u1jA-1xpgA:
47.5		 1u1jA-1xpgA:
41.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XPG_A_C2FA1882_0
(5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE)		 1xpg 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE
(Thermotoga
maritima) 		9 / 9 LYS A  18
LYS A 104
ASN A 109
ASP A 467
SER A 489
ARG A 493
CYH A 494
TRP A 539
GLU A 583
 C2F  A1882 (-2.4A)
C2F  A1882 ( 3.3A)
C2F  A1882 (-3.7A)
C2F  A1882 ( 4.9A)
C2F  A1882 (-3.0A)
C2F  A1882 ( 3.5A)
C2F  A1882 (-4.6A)
C2F  A1882 (-3.7A)
C2F  A1882 (-3.0A)
 0.06A 1xpgA-1xpgA:
68.9		 1xpgA-1xpgA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XPG_B_C2FB1883_0
(5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE)		 1xpg 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE
(Thermotoga
maritima) 		10 / 10 ARG A  15
LYS A  18
LYS A 104
THR A 466
TRP A 486
SER A 489
ARG A 493
CYH A 494
TRP A 539
GLU A 583
 C2F  A1882 ( 4.6A)
C2F  A1882 (-2.4A)
C2F  A1882 ( 3.3A)
None
None
C2F  A1882 (-3.0A)
C2F  A1882 ( 3.5A)
C2F  A1882 (-4.6A)
C2F  A1882 (-3.7A)
C2F  A1882 (-3.0A)
 0.47A 1xpgB-1xpgA:
65.6		 1xpgB-1xpgA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XR2_A_C2FA1200_0
(5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE)		 1xpg 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE
(Thermotoga
maritima) 		9 / 9 ARG A  15
LYS A  18
LYS A 104
SER A 489
ARG A 493
CYH A 494
TRP A 539
PRO A 579
GLU A 583
 C2F  A1882 ( 4.6A)
C2F  A1882 (-2.4A)
C2F  A1882 ( 3.3A)
C2F  A1882 (-3.0A)
C2F  A1882 ( 3.5A)
C2F  A1882 (-4.6A)
C2F  A1882 (-3.7A)
None
C2F  A1882 (-3.0A)
 0.47A 1xr2A-1xpgA:
65.4		 1xr2A-1xpgA:
99.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XR2_B_C2FB1201_0
(5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE)		 1xpg 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE
(Thermotoga
maritima) 		8 / 8 LYS A  18
LYS A 104
THR A 466
TRP A 486
SER A 489
ARG A 493
TRP A 539
GLU A 583
 C2F  A1882 (-2.4A)
C2F  A1882 ( 3.3A)
None
None
C2F  A1882 (-3.0A)
C2F  A1882 ( 3.5A)
C2F  A1882 (-3.7A)
C2F  A1882 (-3.0A)
 0.73A 1xr2B-1xpgA:
64.2		 1xr2B-1xpgA:
99.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2E7F_A_C2FA3000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		11 / 12 GLU A   7
PHE A  13
ASP A  76
ASN A  97
ILE A 121
LEU A 123
GLY A 197
SER A 199
ASN A 200
ARG A 208
ILE A 228
 C2F  A3000 ( 4.1A)
C2F  A3000 (-3.9A)
C2F  A3000 (-3.4A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.2A)
None
C2F  A3000 (-3.6A)
GOL  A1270 ( 3.9A)
C2F  A3000 (-3.1A)
C2F  A3000 ( 2.6A)
C2F  A3000 (-4.6A)
 0.26A 2e7fA-2ycjA:
42.9		 2e7fA-2ycjA:
60.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2E7F_A_C2FA3000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		5 / 12 MET A  12
ASP A  76
ASN A  97
ILE A 121
LEU A 123
 None
C2F  A3000 (-3.4A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.2A)
None
 1.18A 2e7fA-2ycjA:
42.9		 2e7fA-2ycjA:
60.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2E7F_A_C2FA3000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		6 / 12 ASN A  97
ILE A 121
LEU A 123
GLY A 196
ASN A 199
ARG A 207
 C2F  A3000 (-3.0A)
C2F  A3000 ( 4.1A)
None
C2F  A3000 (-3.5A)
C2F  A3000 ( 4.3A)
None
 0.82A 2e7fA-4o1eA:
33.9		 2e7fA-4o1eA:
32.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2E7F_A_C2FA3000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		7 / 12 ASP A  76
ASN A  97
ILE A 121
GLY A 196
SER A 198
ARG A 207
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.1A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 3.8A)
None
C2F  A3000 (-4.3A)
 1.15A 2e7fA-4o1eA:
33.9		 2e7fA-4o1eA:
32.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2E7F_A_C2FA3000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		7 / 12 ASP A  76
ASN A  97
ILE A 121
LEU A 123
GLY A 196
ARG A 207
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.1A)
None
C2F  A3000 (-3.5A)
None
C2F  A3000 (-4.3A)
 0.85A 2e7fA-4o1eA:
33.9		 2e7fA-4o1eA:
32.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2E7F_A_C2FA3000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		7 / 12 GLU A   7
ASP A  76
ASN A  97
ILE A 121
LEU A 123
GLY A 196
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.1A)
None
C2F  A3000 (-3.5A)
C2F  A3000 (-4.3A)
 0.54A 2e7fA-4o1eA:
33.9		 2e7fA-4o1eA:
32.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2E7F_A_C2FA3000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		9 / 12 GLU A 373
ASP A 443
ASN A 464
LEU A 492
GLY A 570
SER A 572
ASN A 573
ARG A 583
ILE A 603
 C2F  A3001 (-3.7A)
C2F  A3001 (-2.5A)
C2F  A3001 (-2.2A)
None
C2F  A3001 (-3.5A)
C2F  A3001 ( 4.5A)
C2F  A3001 (-2.6A)
C2F  A3001 (-3.0A)
C2F  A3001 (-3.5A)
 0.28A 2e7fA-5vopA:
30.7		 2e7fA-5vopA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2E7F_B_C2FB4000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		11 / 12 GLU A   7
PHE A  13
ASN A  97
ILE A 121
LEU A 123
GLY A 197
SER A 199
ASN A 200
GLN A 203
ARG A 208
ILE A 228
 C2F  A3000 ( 4.1A)
C2F  A3000 (-3.9A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.2A)
None
C2F  A3000 (-3.6A)
GOL  A1270 ( 3.9A)
C2F  A3000 (-3.1A)
C2F  A3000 (-3.9A)
C2F  A3000 ( 2.6A)
C2F  A3000 (-4.6A)
 0.38A 2e7fB-2ycjA:
43.2		 2e7fB-2ycjA:
60.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2E7F_B_C2FB4000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		5 / 12 GLU A   7
PHE A  13
LEU A 163
GLY A 197
ILE A 228
 C2F  A3000 ( 4.1A)
C2F  A3000 (-3.9A)
None
C2F  A3000 (-3.6A)
C2F  A3000 (-4.6A)
 1.11A 2e7fB-2ycjA:
43.2		 2e7fB-2ycjA:
60.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2E7F_B_C2FB4000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		6 / 12 ASN A  97
ILE A 121
GLY A 196
SER A 198
ARG A 207
ILE A 227
 C2F  A3000 (-3.0A)
C2F  A3000 ( 4.1A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 3.8A)
None
C2F  A3000 (-4.3A)
 1.10A 2e7fB-4o1eA:
34.0		 2e7fB-4o1eA:
32.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2E7F_B_C2FB4000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		7 / 12 ASN A  97
ILE A 121
LEU A 123
GLY A 196
ASN A 199
ARG A 207
ILE A 227
 C2F  A3000 (-3.0A)
C2F  A3000 ( 4.1A)
None
C2F  A3000 (-3.5A)
C2F  A3000 ( 4.3A)
None
C2F  A3000 (-4.3A)
 0.84A 2e7fB-4o1eA:
34.0		 2e7fB-4o1eA:
32.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2E7F_B_C2FB4000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		6 / 12 GLU A   7
ASN A  97
ILE A 121
LEU A 123
GLY A 196
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.1A)
None
C2F  A3000 (-3.5A)
C2F  A3000 (-4.3A)
 0.50A 2e7fB-4o1eA:
34.0		 2e7fB-4o1eA:
32.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2E7F_B_C2FB4000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		8 / 12 GLU A 373
ASN A 464
LEU A 492
GLY A 570
SER A 572
ASN A 573
ARG A 583
ILE A 603
 C2F  A3001 (-3.7A)
C2F  A3001 (-2.2A)
None
C2F  A3001 (-3.5A)
C2F  A3001 ( 4.5A)
C2F  A3001 (-2.6A)
C2F  A3001 (-3.0A)
C2F  A3001 (-3.5A)
 0.26A 2e7fB-5vopA:
30.8		 2e7fB-5vopA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2KCE_A_D16A566_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		9 / 12 SER A  54
GLU A  58
TRP A  80
TRP A  83
LEU A 143
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 (-3.4A)
None
C2F  A 302 ( 3.8A)
C2F  A 302 (-3.9A)
C2F  A 302 (-4.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.57A 2kceA-4fogA:
40.8		 2kceA-4fogA:
66.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2KCE_B_D16B568_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		8 / 12 SER A  54
TRP A  80
TRP A  83
LEU A 143
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 (-3.4A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-3.9A)
C2F  A 302 (-4.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.73A 2kceB-4fogA:
40.9		 2kceB-4fogA:
66.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2OGY_A_C2FA3000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		11 / 12 GLU A   7
PHE A  13
ASP A  76
ASN A  97
ILE A 121
LEU A 123
GLY A 197
SER A 199
GLN A 203
ARG A 208
ILE A 228
 C2F  A3000 ( 4.1A)
C2F  A3000 (-3.9A)
C2F  A3000 (-3.4A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.2A)
None
C2F  A3000 (-3.6A)
GOL  A1270 ( 3.9A)
C2F  A3000 (-3.9A)
C2F  A3000 ( 2.6A)
C2F  A3000 (-4.6A)
 0.53A 2ogyA-2ycjA:
42.7		 2ogyA-2ycjA:
60.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2OGY_A_C2FA3000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		5 / 12 GLU A   7
PHE A  13
LEU A 163
GLY A 197
ILE A 228
 C2F  A3000 ( 4.1A)
C2F  A3000 (-3.9A)
None
C2F  A3000 (-3.6A)
C2F  A3000 (-4.6A)
 1.09A 2ogyA-2ycjA:
42.7		 2ogyA-2ycjA:
60.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2OGY_A_C2FA3000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		5 / 12 MET A  12
ASP A  76
ASN A  97
ILE A 121
LEU A 123
 None
C2F  A3000 (-3.4A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.2A)
None
 1.18A 2ogyA-2ycjA:
42.7		 2ogyA-2ycjA:
60.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2OGY_A_C2FA3000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		7 / 12 ASP A  76
ASN A  97
ILE A 121
GLY A 196
SER A 198
ARG A 207
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.1A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 3.8A)
None
C2F  A3000 (-4.3A)
 1.13A 2ogyA-4o1eA:
33.7		 2ogyA-4o1eA:
31.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2OGY_A_C2FA3000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		7 / 12 ASP A  76
ASN A  97
ILE A 121
LEU A 123
GLY A 196
ARG A 207
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.1A)
None
C2F  A3000 (-3.5A)
None
C2F  A3000 (-4.3A)
 0.87A 2ogyA-4o1eA:
33.7		 2ogyA-4o1eA:
31.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2OGY_A_C2FA3000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		7 / 12 GLU A   7
ASP A  76
ASN A  97
ILE A 121
LEU A 123
GLY A 196
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.1A)
None
C2F  A3000 (-3.5A)
C2F  A3000 (-4.3A)
 0.58A 2ogyA-4o1eA:
33.7		 2ogyA-4o1eA:
31.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OGY_A_C2FA3000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		8 / 12 GLU A 373
ASP A 443
ASN A 464
LEU A 492
GLY A 570
SER A 572
ARG A 583
ILE A 603
 C2F  A3001 (-3.7A)
C2F  A3001 (-2.5A)
C2F  A3001 (-2.2A)
None
C2F  A3001 (-3.5A)
C2F  A3001 ( 4.5A)
C2F  A3001 (-3.0A)
C2F  A3001 (-3.5A)
 0.32A 2ogyA-5vopA:
30.5		 2ogyA-5vopA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2OGY_B_C2FB4000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		11 / 12 GLU A   7
PHE A  13
ASP A  76
ASN A  97
ILE A 121
LEU A 123
GLY A 197
SER A 199
GLN A 203
ARG A 208
ILE A 228
 C2F  A3000 ( 4.1A)
C2F  A3000 (-3.9A)
C2F  A3000 (-3.4A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.2A)
None
C2F  A3000 (-3.6A)
GOL  A1270 ( 3.9A)
C2F  A3000 (-3.9A)
C2F  A3000 ( 2.6A)
C2F  A3000 (-4.6A)
 0.42A 2ogyB-2ycjA:
43.0		 2ogyB-2ycjA:
60.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2OGY_B_C2FB4000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		5 / 12 GLU A   7
PHE A  13
LEU A 163
GLY A 197
ILE A 228
 C2F  A3000 ( 4.1A)
C2F  A3000 (-3.9A)
None
C2F  A3000 (-3.6A)
C2F  A3000 (-4.6A)
 1.09A 2ogyB-2ycjA:
43.0		 2ogyB-2ycjA:
60.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2OGY_B_C2FB4000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		6 / 12 MET A  12
ASP A  76
ASN A  97
ILE A 121
LEU A 123
GLN A 203
 None
C2F  A3000 (-3.4A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.2A)
None
C2F  A3000 (-3.9A)
 1.17A 2ogyB-2ycjA:
43.0		 2ogyB-2ycjA:
60.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2OGY_B_C2FB4000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		7 / 12 ASP A  76
ASN A  97
ILE A 121
GLY A 196
SER A 198
ARG A 207
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.1A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 3.8A)
None
C2F  A3000 (-4.3A)
 1.09A 2ogyB-4o1eA:
33.8		 2ogyB-4o1eA:
31.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2OGY_B_C2FB4000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		7 / 12 ASP A  76
ASN A  97
ILE A 121
LEU A 123
GLY A 196
ARG A 207
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.1A)
None
C2F  A3000 (-3.5A)
None
C2F  A3000 (-4.3A)
 0.84A 2ogyB-4o1eA:
33.8		 2ogyB-4o1eA:
31.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2OGY_B_C2FB4000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		7 / 12 GLU A   7
ASP A  76
ASN A  97
ILE A 121
LEU A 123
GLY A 196
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.1A)
None
C2F  A3000 (-3.5A)
C2F  A3000 (-4.3A)
 0.54A 2ogyB-4o1eA:
33.8		 2ogyB-4o1eA:
31.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OGY_B_C2FB4000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		8 / 12 GLU A 373
ASP A 443
ASN A 464
LEU A 492
GLY A 570
SER A 572
ARG A 583
ILE A 603
 C2F  A3001 (-3.7A)
C2F  A3001 (-2.5A)
C2F  A3001 (-2.2A)
None
C2F  A3001 (-3.5A)
C2F  A3001 ( 4.5A)
C2F  A3001 (-3.0A)
C2F  A3001 (-3.5A)
 0.29A 2ogyB-5vopA:
30.8		 2ogyB-5vopA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PK4_A_ACAA100_1
(HUMAN PLASMINOGEN
KRINGLE 4)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		4 / 7 ASP A 230
ASP A 232
PHE A  13
TRP A  31
 GOL  A1270 (-3.7A)
None
C2F  A3000 (-3.9A)
None
 1.22A 2pk4A-2ycjA:
undetectable		 2pk4A-2ycjA:
13.06
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.
2QE6_A_SAMA400_0
(UNCHARACTERIZED
PROTEIN TFU_2867)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		6 / 12 ILE A  96
ALA A 118
TYR A 116
ASP A  44
VAL A  45
VAL A  89
 None
None
None
C2F  A3000 ( 4.5A)
None
None
 1.43A 2qe6A-2ycjA:
undetectable		 2qe6A-2ycjA:
23.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_A_D16A309_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		4 / 7 ILE A  79
ASP A 169
GLY A 173
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 ( 4.6A)
 0.46A 2tsrA-4fogA:
36.8		 2tsrA-4fogA:
47.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_C_D16C509_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		6 / 10 GLU A  58
ILE A  79
TRP A  80
ASP A 169
GLY A 173
TYR A 209
 None
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 ( 4.6A)
 0.71A 2tsrC-4fogA:
36.7		 2tsrC-4fogA:
47.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2TSR_D_D16D609_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 9 ILE A  79
TRP A  80
ASP A 169
GLY A 173
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 ( 4.6A)
 0.77A 2tsrD-4fogA:
22.5		 2tsrD-4fogA:
47.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2YCJ_A_C2FA3000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		6 / 12 MET A  12
ASP A  76
ASN A  97
ILE A 121
LEU A 123
ASP A 161
 None
C2F  A3000 (-3.4A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.2A)
None
C2F  A3000 (-3.5A)
 1.14A 2ycjA-2ycjA:
51.2		 2ycjA-2ycjA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2YCJ_A_C2FA3000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		7 / 12 PHE A  13
ASP A  44
ILE A 121
ASP A 161
GLY A 197
ASN A 200
GLN A 203
 C2F  A3000 (-3.9A)
C2F  A3000 ( 4.5A)
C2F  A3000 ( 4.2A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.6A)
C2F  A3000 (-3.1A)
C2F  A3000 (-3.9A)
 1.25A 2ycjA-2ycjA:
51.2		 2ycjA-2ycjA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2YCJ_A_C2FA3000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		11 / 12 PHE A  13
ASP A  76
ASN A  97
ILE A 121
LEU A 123
ASP A 161
GLY A 197
SER A 199
ASN A 200
GLN A 203
ILE A 228
 C2F  A3000 (-3.9A)
C2F  A3000 (-3.4A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.2A)
None
C2F  A3000 (-3.5A)
C2F  A3000 (-3.6A)
GOL  A1270 ( 3.9A)
C2F  A3000 (-3.1A)
C2F  A3000 (-3.9A)
C2F  A3000 (-4.6A)
 0.00A 2ycjA-2ycjA:
51.2		 2ycjA-2ycjA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2YCJ_A_C2FA3000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		5 / 12 PHE A  13
LEU A 163
ASP A 161
GLY A 197
ILE A 228
 C2F  A3000 (-3.9A)
None
C2F  A3000 (-3.5A)
C2F  A3000 (-3.6A)
C2F  A3000 (-4.6A)
 1.26A 2ycjA-2ycjA:
51.2		 2ycjA-2ycjA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2YCJ_A_C2FA3000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		7 / 12 ASN A  97
ILE A 121
LEU A 123
ASP A 161
GLY A 196
ASN A 199
ILE A 227
 C2F  A3000 (-3.0A)
C2F  A3000 ( 4.1A)
None
C2F  A3000 (-3.5A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 4.3A)
C2F  A3000 (-4.3A)
 0.75A 2ycjA-4o1eA:
35.3		 2ycjA-4o1eA:
36.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2YCJ_A_C2FA3000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		5 / 12 ASN A  97
ILE A 121
LEU A 123
ASP A 161
ILE A   5
 C2F  A3000 (-3.0A)
C2F  A3000 ( 4.1A)
None
C2F  A3000 (-3.5A)
None
 1.20A 2ycjA-4o1eA:
35.3		 2ycjA-4o1eA:
36.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2YCJ_A_C2FA3000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		7 / 12 ASP A  76
ASN A  97
ILE A 121
ASP A 161
GLY A 196
SER A 198
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.1A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 3.8A)
C2F  A3000 (-4.3A)
 1.07A 2ycjA-4o1eA:
35.3		 2ycjA-4o1eA:
36.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2YCJ_A_C2FA3000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		7 / 12 ASP A  76
ASN A  97
ILE A 121
LEU A 123
ASP A 161
GLY A 196
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.1A)
None
C2F  A3000 (-3.5A)
C2F  A3000 (-3.5A)
C2F  A3000 (-4.3A)
 0.51A 2ycjA-4o1eA:
35.3		 2ycjA-4o1eA:
36.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YCJ_A_C2FA3000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		8 / 12 ASP A 443
ASN A 464
LEU A 492
ASP A 531
GLY A 570
SER A 572
ASN A 573
ILE A 603
 C2F  A3001 (-2.5A)
C2F  A3001 (-2.2A)
None
C2F  A3001 (-2.5A)
C2F  A3001 (-3.5A)
C2F  A3001 ( 4.5A)
C2F  A3001 (-2.6A)
C2F  A3001 (-3.5A)
 0.30A 2ycjA-5vopA:
30.6		 2ycjA-5vopA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HCN_A_CHDA3_0
(FERROCHELATASE,
MITOCHONDRIAL)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		5 / 7 LEU A 410
ARG A 400
SER A 380
GLY A 394
MET A 386
 None
None
C2F  A3001 (-4.7A)
None
None
 1.08A 3hcnA-5vopA:
3.4		 3hcnA-5vopA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HCR_A_CHDA424_0
(FERROCHELATASE,
MITOCHONDRIAL)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		4 / 8 LEU A 410
ARG A 400
SER A 380
GLY A 394
 None
None
C2F  A3001 (-4.7A)
None
 0.86A 3hcrA-5vopA:
2.1		 3hcrA-5vopA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HCR_B_CHDB924_0
(FERROCHELATASE,
MITOCHONDRIAL)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		4 / 7 LEU A 410
ARG A 400
SER A 380
GLY A 394
 None
None
C2F  A3001 (-4.7A)
None
 0.92A 3hcrB-5vopA:
3.5		 3hcrB-5vopA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3IJD_A_C2FA314_0
(UNCHARACTERIZED
PROTEIN)		 3ijd UNCHARACTERIZED
PROTEIN
(Ruminiclostridiu
m
thermocellum) 		12 / 12 THR A  19
TYR A  52
LEU A  54
VAL A 121
GLY A 122
LEU A 134
ILE A 155
ARG A 158
GLN A 183
LEU A 231
ILE A 233
GLU A 280
 C2F  A 314 ( 3.8A)
C2F  A 314 (-3.6A)
None
C2F  A 314 (-4.0A)
C2F  A 314 (-3.5A)
C2F  A 314 ( 4.4A)
None
C2F  A 314 (-3.5A)
C2F  A 314 (-3.4A)
C2F  A 314 (-3.9A)
None
C2F  A 314 (-3.3A)
 0.01A 3ijdA-3ijdA:
52.9		 3ijdA-3ijdA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3IJD_A_C2FA315_0
(UNCHARACTERIZED
PROTEIN)		 3ijd UNCHARACTERIZED
PROTEIN
(Ruminiclostridiu
m
thermocellum) 		11 / 11 THR A  19
LYS A  22
LYS A  29
ILE A  33
ARG A  40
THR A  72
LYS A 223
PHE A 227
VAL A 284
LYS A 286
ILE A 289
 C2F  A 314 ( 3.8A)
C2F  A 315 (-2.6A)
C2F  A 315 (-3.4A)
C2F  A 315 (-3.8A)
C2F  A 315 (-3.4A)
C2F  A 315 (-4.5A)
C2F  A 315 ( 4.5A)
C2F  A 315 (-3.7A)
C2F  A 315 (-4.1A)
None
C2F  A 315 (-4.5A)
 0.00A 3ijdA-3ijdA:
52.9		 3ijdA-3ijdA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3IJD_B_C2FB314_0
(UNCHARACTERIZED
PROTEIN)		 3ijd UNCHARACTERIZED
PROTEIN
(Ruminiclostridiu
m
thermocellum) 		12 / 12 TYR A  52
LEU A  54
CYH A  95
VAL A 121
GLY A 122
LEU A 134
ILE A 155
ARG A 158
ARG A 168
GLN A 183
LEU A 231
ILE A 233
 C2F  A 314 (-3.6A)
None
C2F  A 314 ( 4.1A)
C2F  A 314 (-4.0A)
C2F  A 314 (-3.5A)
C2F  A 314 ( 4.4A)
None
C2F  A 314 (-3.5A)
None
C2F  A 314 (-3.4A)
C2F  A 314 (-3.9A)
None
 0.29A 3ijdB-3ijdA:
50.0		 3ijdB-3ijdA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3IJD_B_C2FB314_1
(UNCHARACTERIZED
PROTEIN)		 3ijd UNCHARACTERIZED
PROTEIN
(Ruminiclostridiu
m
thermocellum) 		3 / 3 THR A  19
LYS A 172
GLU A 280
 C2F  A 314 ( 3.8A)
C2F  A 314 (-2.5A)
C2F  A 314 (-3.3A)
 0.17A 3ijdB-3ijdA:
50.0		 3ijdB-3ijdA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3IJD_B_C2FB315_0
(UNCHARACTERIZED
PROTEIN)		 3ijd UNCHARACTERIZED
PROTEIN
(Ruminiclostridiu
m
thermocellum) 		10 / 12 THR A  19
LYS A  22
LYS A  29
ILE A  33
ILE A  70
THR A  72
LYS A 223
PHE A 227
VAL A 284
LYS A 286
 C2F  A 314 ( 3.8A)
C2F  A 315 (-2.6A)
C2F  A 315 (-3.4A)
C2F  A 315 (-3.8A)
C2F  A 315 ( 4.8A)
C2F  A 315 (-4.5A)
C2F  A 315 ( 4.5A)
C2F  A 315 (-3.7A)
C2F  A 315 (-4.1A)
None
 0.66A 3ijdB-3ijdA:
50.0		 3ijdB-3ijdA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3IJD_B_C2FB315_0
(UNCHARACTERIZED
PROTEIN)		 3ijd UNCHARACTERIZED
PROTEIN
(Ruminiclostridiu
m
thermocellum) 		9 / 12 THR A  19
LYS A  29
ILE A  33
ARG A  40
ILE A  70
THR A  72
PHE A 227
VAL A 284
LYS A 286
 C2F  A 314 ( 3.8A)
C2F  A 315 (-3.4A)
C2F  A 315 (-3.8A)
C2F  A 315 (-3.4A)
C2F  A 315 ( 4.8A)
C2F  A 315 (-4.5A)
C2F  A 315 (-3.7A)
C2F  A 315 (-4.1A)
None
 0.54A 3ijdB-3ijdA:
50.0		 3ijdB-3ijdA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K13_A_THHA642_0
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		7 / 12 GLU A   7
ASN A  10
ASP A  76
GLY A 197
SER A 199
ASN A 200
ILE A 228
 C2F  A3000 ( 4.1A)
C2F  A3000 ( 4.8A)
C2F  A3000 (-3.4A)
C2F  A3000 (-3.6A)
GOL  A1270 ( 3.9A)
C2F  A3000 (-3.1A)
C2F  A3000 (-4.6A)
 0.29A 3k13A-2ycjA:
29.6		 3k13A-2ycjA:
29.17
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.
3K13_A_THHA642_0
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		5 / 12 ASN A  10
ASP A  76
GLY A 196
SER A 198
ILE A 227
 C2F  A3000 ( 4.5A)
C2F  A3000 (-3.6A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 3.8A)
C2F  A3000 (-4.3A)
 1.26A 3k13A-4o1eA:
27.8		 3k13A-4o1eA:
29.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K13_A_THHA642_0
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		5 / 12 GLU A   7
ASN A  10
ASP A  76
GLY A 196
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 ( 4.5A)
C2F  A3000 (-3.6A)
C2F  A3000 (-3.5A)
C2F  A3000 (-4.3A)
 0.61A 3k13A-4o1eA:
27.8		 3k13A-4o1eA:
29.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K13_A_THHA642_0
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		6 / 12 ASN A 376
GLY A 379
ASP A 411
VAL A 490
GLY A 570
ASN A 573
 NA  A3005 (-3.0A)
C2F  A3001 (-3.3A)
C2F  A3001 ( 3.8A)
C2F  A3001 ( 4.7A)
C2F  A3001 (-3.5A)
C2F  A3001 (-2.6A)
 1.43A 3k13A-5vopA:
39.5		 3k13A-5vopA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K13_A_THHA642_0
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		9 / 12 GLU A 373
ASN A 376
GLY A 379
ASP A 443
VAL A 490
GLY A 570
SER A 572
ASN A 573
ILE A 603
 C2F  A3001 (-3.7A)
NA  A3005 (-3.0A)
C2F  A3001 (-3.3A)
C2F  A3001 (-2.5A)
C2F  A3001 ( 4.7A)
C2F  A3001 (-3.5A)
C2F  A3001 ( 4.5A)
C2F  A3001 (-2.6A)
C2F  A3001 (-3.5A)
 0.29A 3k13A-5vopA:
39.5		 3k13A-5vopA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K13_A_THHA642_1
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		3 / 3 ASN A  97
ASP A 161
ARG A 208
 C2F  A3000 (-3.0A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 2.6A)
 0.43A 3k13A-2ycjA:
29.6		 3k13A-2ycjA:
29.17
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.
3K13_A_THHA642_1
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		3 / 3 ASN A  97
ASP A 161
ARG A 207
 C2F  A3000 (-3.0A)
C2F  A3000 (-3.5A)
None
 0.48A 3k13A-4o1eA:
27.8		 3k13A-4o1eA:
29.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K13_A_THHA642_1
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		3 / 3 ASN A 464
ASP A 531
ARG A 583
 C2F  A3001 (-2.2A)
C2F  A3001 (-2.5A)
C2F  A3001 (-3.0A)
 0.19A 3k13A-5vopA:
39.5		 3k13A-5vopA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K13_B_THHB643_0
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		9 / 12 GLU A   7
ASN A  10
ASP A  76
ASN A  97
GLY A 197
SER A 199
ASN A 200
ARG A 208
ILE A 228
 C2F  A3000 ( 4.1A)
C2F  A3000 ( 4.8A)
C2F  A3000 (-3.4A)
C2F  A3000 (-3.0A)
C2F  A3000 (-3.6A)
GOL  A1270 ( 3.9A)
C2F  A3000 (-3.1A)
C2F  A3000 ( 2.6A)
C2F  A3000 (-4.6A)
 0.42A 3k13B-2ycjA:
29.5		 3k13B-2ycjA:
29.17
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.
3K13_B_THHB643_0
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		7 / 12 ASN A  10
ASP A  76
ASN A  97
GLY A 196
SER A 198
ARG A 207
ILE A 227
 C2F  A3000 ( 4.5A)
C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 3.8A)
None
C2F  A3000 (-4.3A)
 1.17A 3k13B-4o1eA:
27.8		 3k13B-4o1eA:
29.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K13_B_THHB643_0
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		6 / 12 GLU A   7
ASN A  10
ASP A  76
ASN A  97
GLY A 196
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 ( 4.5A)
C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 (-3.5A)
C2F  A3000 (-4.3A)
 0.60A 3k13B-4o1eA:
27.8		 3k13B-4o1eA:
29.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K13_B_THHB643_0
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		6 / 12 ASN A 376
GLY A 379
ASP A 411
VAL A 490
GLY A 570
ASN A 573
 NA  A3005 (-3.0A)
C2F  A3001 (-3.3A)
C2F  A3001 ( 3.8A)
C2F  A3001 ( 4.7A)
C2F  A3001 (-3.5A)
C2F  A3001 (-2.6A)
 1.45A 3k13B-5vopA:
39.6		 3k13B-5vopA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K13_B_THHB643_0
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		11 / 12 GLU A 373
ASN A 376
GLY A 379
ASP A 443
ASN A 464
VAL A 490
GLY A 570
SER A 572
ASN A 573
ARG A 583
ILE A 603
 C2F  A3001 (-3.7A)
NA  A3005 (-3.0A)
C2F  A3001 (-3.3A)
C2F  A3001 (-2.5A)
C2F  A3001 (-2.2A)
C2F  A3001 ( 4.7A)
C2F  A3001 (-3.5A)
C2F  A3001 ( 4.5A)
C2F  A3001 (-2.6A)
C2F  A3001 (-3.0A)
C2F  A3001 (-3.5A)
 0.33A 3k13B-5vopA:
39.6		 3k13B-5vopA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K13_C_THHC643_0
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		8 / 12 GLU A   7
ASN A  10
ASP A  76
GLY A 197
SER A 199
ASN A 200
ARG A 208
ILE A 228
 C2F  A3000 ( 4.1A)
C2F  A3000 ( 4.8A)
C2F  A3000 (-3.4A)
C2F  A3000 (-3.6A)
GOL  A1270 ( 3.9A)
C2F  A3000 (-3.1A)
C2F  A3000 ( 2.6A)
C2F  A3000 (-4.6A)
 0.42A 3k13C-2ycjA:
29.4		 3k13C-2ycjA:
29.17
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.
3K13_C_THHC643_0
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		6 / 12 ASN A  10
ASP A  76
GLY A 196
SER A 198
ARG A 207
ILE A 227
 C2F  A3000 ( 4.5A)
C2F  A3000 (-3.6A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 3.8A)
None
C2F  A3000 (-4.3A)
 1.21A 3k13C-4o1eA:
27.7		 3k13C-4o1eA:
29.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K13_C_THHC643_0
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		5 / 12 GLU A   7
ASN A  10
ASP A  76
GLY A 196
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 ( 4.5A)
C2F  A3000 (-3.6A)
C2F  A3000 (-3.5A)
C2F  A3000 (-4.3A)
 0.64A 3k13C-4o1eA:
27.7		 3k13C-4o1eA:
29.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K13_C_THHC643_0
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		8 / 12 ASN A 376
ASP A 443
VAL A 490
GLY A 570
SER A 572
ASN A 573
PHE A 576
ILE A 603
 NA  A3005 (-3.0A)
C2F  A3001 (-2.5A)
C2F  A3001 ( 4.7A)
C2F  A3001 (-3.5A)
C2F  A3001 ( 4.5A)
C2F  A3001 (-2.6A)
C2F  A3001 (-4.7A)
C2F  A3001 (-3.5A)
 0.72A 3k13C-5vopA:
39.4		 3k13C-5vopA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K13_C_THHC643_0
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		6 / 12 ASN A 376
GLY A 379
ASP A 411
VAL A 490
GLY A 570
ASN A 573
 NA  A3005 (-3.0A)
C2F  A3001 (-3.3A)
C2F  A3001 ( 3.8A)
C2F  A3001 ( 4.7A)
C2F  A3001 (-3.5A)
C2F  A3001 (-2.6A)
 1.45A 3k13C-5vopA:
39.4		 3k13C-5vopA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K13_C_THHC643_0
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		10 / 12 GLU A 373
ASN A 376
GLY A 379
ASP A 443
VAL A 490
GLY A 570
SER A 572
ASN A 573
ARG A 583
ILE A 603
 C2F  A3001 (-3.7A)
NA  A3005 (-3.0A)
C2F  A3001 (-3.3A)
C2F  A3001 (-2.5A)
C2F  A3001 ( 4.7A)
C2F  A3001 (-3.5A)
C2F  A3001 ( 4.5A)
C2F  A3001 (-2.6A)
C2F  A3001 (-3.0A)
C2F  A3001 (-3.5A)
 0.36A 3k13C-5vopA:
39.4		 3k13C-5vopA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 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_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		9 / 12 SER A  54
GLU A  58
ILE A  79
TRP A  80
LEU A 143
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 (-3.4A)
None
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-4.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.54A 3k2hA-4fogA:
37.3		 3k2hA-4fogA:
28.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_B_LYAB513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		9 / 12 SER A  54
GLU A  58
ILE A  79
TRP A  80
LEU A 143
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 (-3.4A)
None
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-4.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.53A 3k2hB-4fogA:
37.9		 3k2hB-4fogA:
28.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KIV_A_ACAA100_1
(APOLIPOPROTEIN)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		4 / 7 ASP A 230
ASP A 232
PHE A  13
TRP A  31
 GOL  A1270 (-3.7A)
None
C2F  A3000 (-3.9A)
None
 1.10A 3kivA-2ycjA:
undetectable		 3kivA-2ycjA:
13.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NRR_A_D16A530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		8 / 12 SER A  54
GLU A  58
ILE A  79
TRP A  80
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 (-3.4A)
None
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.50A 3nrrA-4fogA:
38.2		 3nrrA-4fogA:
28.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NRR_B_D16B530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		8 / 12 SER A  54
GLU A  58
ILE A  79
TRP A  80
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 (-3.4A)
None
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.50A 3nrrB-4fogA:
38.3		 3nrrB-4fogA:
28.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NVK_J_SAMJ228_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE
NOP5/NOP56 RELATED
PROTEIN)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		5 / 12 ALA A 415
GLU A 421
ALA A 453
ASP A 443
VAL A 442
 None
None
None
C2F  A3001 (-2.5A)
None
 1.19A 3nvkF-5vopA:
undetectable
3nvkJ-5vopA:
undetectable		 3nvkF-5vopA:
undetectable
3nvkJ-5vopA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UWL_B_FOZB316_0
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		8 / 12 ILE A  79
TRP A  80
LEU A 143
HIS A 147
GLY A 173
PHE A 176
ASN A 177
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-4.8A)
UFP  A 301 (-4.0A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
UFP  A 301 (-2.8A)
C2F  A 302 ( 4.6A)
 0.55A 3uwlB-4fogA:
40.1		 3uwlB-4fogA:
52.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UWL_D_FOZD316_0
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		8 / 12 TRP A  80
TRP A  83
LEU A 143
HIS A 147
GLY A 173
PHE A 176
ASN A 177
TYR A 209
 C2F  A 302 ( 3.8A)
C2F  A 302 (-3.9A)
C2F  A 302 (-4.8A)
UFP  A 301 (-4.0A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
UFP  A 301 (-2.8A)
C2F  A 302 ( 4.6A)
 0.58A 3uwlD-4fogA:
38.2		 3uwlD-4fogA:
52.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DJE_A_C2FA300_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		5 / 12 ASN A  46
ASP A 161
GLY A 197
GLN A 203
ILE A 228
 None
C2F  A3000 (-3.5A)
C2F  A3000 (-3.6A)
C2F  A3000 (-3.9A)
C2F  A3000 (-4.6A)
 1.03A 4djeA-2ycjA:
42.0		 4djeA-2ycjA:
60.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DJE_A_C2FA300_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		10 / 12 GLU A   7
ASN A  10
PHE A  13
ASP A  76
LEU A 123
ASP A 161
GLY A 197
SER A 199
ARG A 208
ILE A 228
 C2F  A3000 ( 4.1A)
C2F  A3000 ( 4.8A)
C2F  A3000 (-3.9A)
C2F  A3000 (-3.4A)
None
C2F  A3000 (-3.5A)
C2F  A3000 (-3.6A)
GOL  A1270 ( 3.9A)
C2F  A3000 ( 2.6A)
C2F  A3000 (-4.6A)
 0.56A 4djeA-2ycjA:
42.0		 4djeA-2ycjA:
60.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DJE_A_C2FA300_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		9 / 12 GLU A   7
ASN A  10
PHE A  13
ASP A 161
GLY A 197
SER A 199
GLN A 203
ARG A 208
ILE A 228
 C2F  A3000 ( 4.1A)
C2F  A3000 ( 4.8A)
C2F  A3000 (-3.9A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.6A)
GOL  A1270 ( 3.9A)
C2F  A3000 (-3.9A)
C2F  A3000 ( 2.6A)
C2F  A3000 (-4.6A)
 0.81A 4djeA-2ycjA:
42.0		 4djeA-2ycjA:
60.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DJE_A_C2FA300_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		7 / 12 ASN A  10
ASP A  76
ASP A 161
GLY A 196
SER A 198
ARG A 207
ILE A 227
 C2F  A3000 ( 4.5A)
C2F  A3000 (-3.6A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 3.8A)
None
C2F  A3000 (-4.3A)
 1.18A 4djeA-4o1eA:
34.0		 4djeA-4o1eA:
32.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DJE_A_C2FA300_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		7 / 12 ASN A  10
ASP A  76
LEU A 123
ASP A 161
GLY A 196
ARG A 207
ILE A 227
 C2F  A3000 ( 4.5A)
C2F  A3000 (-3.6A)
None
C2F  A3000 (-3.5A)
C2F  A3000 (-3.5A)
None
C2F  A3000 (-4.3A)
 1.00A 4djeA-4o1eA:
34.0		 4djeA-4o1eA:
32.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DJE_A_C2FA300_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		7 / 12 GLU A   7
ASN A  10
ASP A  76
LEU A 123
ASP A 161
GLY A 196
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 ( 4.5A)
C2F  A3000 (-3.6A)
None
C2F  A3000 (-3.5A)
C2F  A3000 (-3.5A)
C2F  A3000 (-4.3A)
 0.66A 4djeA-4o1eA:
34.0		 4djeA-4o1eA:
32.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DJE_A_C2FA300_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		6 / 12 ASN A 376
ASP A 411
LEU A 492
ASP A 531
GLY A 570
ARG A 583
 NA  A3005 (-3.0A)
C2F  A3001 ( 3.8A)
None
C2F  A3001 (-2.5A)
C2F  A3001 (-3.5A)
C2F  A3001 (-3.0A)
 1.40A 4djeA-5vopA:
30.1		 4djeA-5vopA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DJE_A_C2FA300_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		9 / 12 GLU A 373
ASN A 376
ASP A 443
LEU A 492
ASP A 531
GLY A 570
SER A 572
ARG A 583
ILE A 603
 C2F  A3001 (-3.7A)
NA  A3005 (-3.0A)
C2F  A3001 (-2.5A)
None
C2F  A3001 (-2.5A)
C2F  A3001 (-3.5A)
C2F  A3001 ( 4.5A)
C2F  A3001 (-3.0A)
C2F  A3001 (-3.5A)
 0.59A 4djeA-5vopA:
30.1		 4djeA-5vopA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DJE_B_C2FB302_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		5 / 12 ASP A  44
ASP A 161
GLY A 197
ASN A 200
GLN A 203
 C2F  A3000 ( 4.5A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.6A)
C2F  A3000 (-3.1A)
C2F  A3000 (-3.9A)
 1.32A 4djeB-2ycjA:
41.5		 4djeB-2ycjA:
60.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DJE_B_C2FB302_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		10 / 12 GLU A   7
PHE A  13
ASP A  44
ASP A  76
ASN A  97
ASP A 161
GLY A 197
SER A 199
ASN A 200
ARG A 208
 C2F  A3000 ( 4.1A)
C2F  A3000 (-3.9A)
C2F  A3000 ( 4.5A)
C2F  A3000 (-3.4A)
C2F  A3000 (-3.0A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.6A)
GOL  A1270 ( 3.9A)
C2F  A3000 (-3.1A)
C2F  A3000 ( 2.6A)
 0.67A 4djeB-2ycjA:
41.5		 4djeB-2ycjA:
60.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DJE_B_C2FB302_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		8 / 12 GLU A   7
PHE A  13
ASP A 161
GLY A 197
SER A 199
ASN A 200
GLN A 203
ARG A 208
 C2F  A3000 ( 4.1A)
C2F  A3000 (-3.9A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.6A)
GOL  A1270 ( 3.9A)
C2F  A3000 (-3.1A)
C2F  A3000 (-3.9A)
C2F  A3000 ( 2.6A)
 0.90A 4djeB-2ycjA:
41.5		 4djeB-2ycjA:
60.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DJE_B_C2FB302_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		5 / 12 MET A  12
ASP A  44
ASP A  76
ASN A  97
ASP A 161
 None
C2F  A3000 ( 4.5A)
C2F  A3000 (-3.4A)
C2F  A3000 (-3.0A)
C2F  A3000 (-3.5A)
 1.18A 4djeB-2ycjA:
41.5		 4djeB-2ycjA:
60.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DJE_B_C2FB302_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		6 / 12 PHE A  13
ASP A  76
ASP A 161
GLY A 197
ASN A 200
ARG A 208
 C2F  A3000 (-3.9A)
C2F  A3000 (-3.4A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.6A)
C2F  A3000 (-3.1A)
C2F  A3000 ( 2.6A)
 1.28A 4djeB-2ycjA:
41.5		 4djeB-2ycjA:
60.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DJE_B_C2FB302_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		5 / 12 ASN A  97
ASP A 161
GLY A 196
ASN A 199
ARG A 207
 C2F  A3000 (-3.0A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 4.3A)
None
 0.96A 4djeB-4o1eA:
33.4		 4djeB-4o1eA:
32.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DJE_B_C2FB302_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		6 / 12 ASP A  44
ASP A  76
ASN A  97
ASP A 161
GLY A 196
ARG A 207
 None
C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.5A)
None
 1.01A 4djeB-4o1eA:
33.4		 4djeB-4o1eA:
32.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DJE_B_C2FB302_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		5 / 12 ASP A  44
ASP A  76
GLY A 196
SER A 198
ARG A 207
 None
C2F  A3000 (-3.6A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 3.8A)
None
 1.15A 4djeB-4o1eA:
33.4		 4djeB-4o1eA:
32.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DJE_B_C2FB302_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		6 / 12 GLU A   7
ASP A  44
ASP A  76
ASN A  97
ASP A 161
GLY A 196
 C2F  A3000 (-3.6A)
None
C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.5A)
 0.60A 4djeB-4o1eA:
33.4		 4djeB-4o1eA:
32.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DJE_B_C2FB302_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		5 / 12 ASP A 443
ASP A 531
GLY A 570
ASN A 573
ARG A 583
 C2F  A3001 (-2.5A)
C2F  A3001 (-2.5A)
C2F  A3001 (-3.5A)
C2F  A3001 (-2.6A)
C2F  A3001 (-3.0A)
 0.76A 4djeB-5vopA:
30.2		 4djeB-5vopA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DJE_B_C2FB302_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		9 / 12 GLU A 373
ASP A 411
ASP A 443
ASN A 464
ASP A 531
GLY A 570
SER A 572
ASN A 573
ARG A 583
 C2F  A3001 (-3.7A)
C2F  A3001 ( 3.8A)
C2F  A3001 (-2.5A)
C2F  A3001 (-2.2A)
C2F  A3001 (-2.5A)
C2F  A3001 (-3.5A)
C2F  A3001 ( 4.5A)
C2F  A3001 (-2.6A)
C2F  A3001 (-3.0A)
 0.61A 4djeB-5vopA:
30.2		 4djeB-5vopA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DJF_A_C2FA300_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		5 / 12 ASN A  10
MET A  12
ILE A 121
ASP A 161
GLN A 203
 C2F  A3000 ( 4.8A)
None
C2F  A3000 ( 4.2A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.9A)
 1.45A 4djfA-2ycjA:
42.3		 4djfA-2ycjA:
60.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DJF_A_C2FA300_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		6 / 12 ASN A  46
ASP A 161
GLY A 197
ASN A 200
GLN A 203
ILE A 228
 None
C2F  A3000 (-3.5A)
C2F  A3000 (-3.6A)
C2F  A3000 (-3.1A)
C2F  A3000 (-3.9A)
C2F  A3000 (-4.6A)
 0.98A 4djfA-2ycjA:
42.3		 4djfA-2ycjA:
60.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DJF_A_C2FA300_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		11 / 12 GLU A   7
ASN A  10
PHE A  13
ILE A 121
ASP A 161
GLY A 197
SER A 199
ASN A 200
GLN A 203
ARG A 208
ILE A 228
 C2F  A3000 ( 4.1A)
C2F  A3000 ( 4.8A)
C2F  A3000 (-3.9A)
C2F  A3000 ( 4.2A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.6A)
GOL  A1270 ( 3.9A)
C2F  A3000 (-3.1A)
C2F  A3000 (-3.9A)
C2F  A3000 ( 2.6A)
C2F  A3000 (-4.6A)
 0.55A 4djfA-2ycjA:
42.3		 4djfA-2ycjA:
60.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DJF_A_C2FA300_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		7 / 12 ASN A  10
ILE A 121
ASP A 161
GLY A 196
ASN A 199
ARG A 207
ILE A 227
 C2F  A3000 ( 4.5A)
C2F  A3000 ( 4.1A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 4.3A)
None
C2F  A3000 (-4.3A)
 1.00A 4djfA-4o1eA:
34.0		 4djfA-4o1eA:
32.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DJF_A_C2FA300_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		6 / 12 ASN A  10
ILE A 121
GLY A 196
SER A 198
ARG A 207
ILE A 227
 C2F  A3000 ( 4.5A)
C2F  A3000 ( 4.1A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 3.8A)
None
C2F  A3000 (-4.3A)
 1.25A 4djfA-4o1eA:
34.0		 4djfA-4o1eA:
32.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DJF_A_C2FA300_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		6 / 12 GLU A   7
ASN A  10
ILE A 121
ASP A 161
GLY A 196
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 ( 4.5A)
C2F  A3000 ( 4.1A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.5A)
C2F  A3000 (-4.3A)
 0.47A 4djfA-4o1eA:
34.0		 4djfA-4o1eA:
32.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DJF_A_C2FA300_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		8 / 12 GLU A 373
ASN A 376
ASP A 531
GLY A 570
SER A 572
ASN A 573
ARG A 583
ILE A 603
 C2F  A3001 (-3.7A)
NA  A3005 (-3.0A)
C2F  A3001 (-2.5A)
C2F  A3001 (-3.5A)
C2F  A3001 ( 4.5A)
C2F  A3001 (-2.6A)
C2F  A3001 (-3.0A)
C2F  A3001 (-3.5A)
 0.33A 4djfA-5vopA:
30.3		 4djfA-5vopA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DJF_B_C2FB300_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		11 / 12 GLU A   7
PHE A  13
ASP A  44
ASP A  76
ASN A  97
ILE A 121
LEU A 123
GLY A 197
SER A 199
GLN A 203
ARG A 208
 C2F  A3000 ( 4.1A)
C2F  A3000 (-3.9A)
C2F  A3000 ( 4.5A)
C2F  A3000 (-3.4A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.2A)
None
C2F  A3000 (-3.6A)
GOL  A1270 ( 3.9A)
C2F  A3000 (-3.9A)
C2F  A3000 ( 2.6A)
 0.68A 4djfB-2ycjA:
42.1		 4djfB-2ycjA:
60.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DJF_B_C2FB300_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		6 / 12 MET A  12
ASP A  44
ASP A  76
ASN A  97
ILE A 121
LEU A 123
 None
C2F  A3000 ( 4.5A)
C2F  A3000 (-3.4A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.2A)
None
 1.12A 4djfB-2ycjA:
42.1		 4djfB-2ycjA:
60.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DJF_B_C2FB300_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		6 / 12 PHE A  13
ASP A  76
ILE A 121
GLY A 197
SER A 199
ARG A 208
 C2F  A3000 (-3.9A)
C2F  A3000 (-3.4A)
C2F  A3000 ( 4.2A)
C2F  A3000 (-3.6A)
GOL  A1270 ( 3.9A)
C2F  A3000 ( 2.6A)
 1.41A 4djfB-2ycjA:
42.1		 4djfB-2ycjA:
60.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DJF_B_C2FB300_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		7 / 12 ASP A  44
ASP A  76
ASN A  97
ILE A 121
LEU A 123
GLY A 196
ARG A 207
 None
C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.1A)
None
C2F  A3000 (-3.5A)
None
 0.95A 4djfB-4o1eA:
33.7		 4djfB-4o1eA:
32.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DJF_B_C2FB300_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		5 / 12 ASP A  44
ASP A  76
GLY A 196
SER A 198
ARG A 207
 None
C2F  A3000 (-3.6A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 3.8A)
None
 1.05A 4djfB-4o1eA:
33.7		 4djfB-4o1eA:
32.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DJF_B_C2FB300_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		7 / 12 GLU A   7
ASP A  44
ASP A  76
ASN A  97
ILE A 121
LEU A 123
GLY A 196
 C2F  A3000 (-3.6A)
None
C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.1A)
None
C2F  A3000 (-3.5A)
 0.47A 4djfB-4o1eA:
33.7		 4djfB-4o1eA:
32.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DJF_B_C2FB300_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		8 / 12 GLU A 373
ASP A 411
ASP A 443
ASN A 464
LEU A 492
GLY A 570
SER A 572
ARG A 583
 C2F  A3001 (-3.7A)
C2F  A3001 ( 3.8A)
C2F  A3001 (-2.5A)
C2F  A3001 (-2.2A)
None
C2F  A3001 (-3.5A)
C2F  A3001 ( 4.5A)
C2F  A3001 (-3.0A)
 0.57A 4djfB-5vopA:
30.4		 4djfB-5vopA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_A_D16A402_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		6 / 12 ILE A  79
ASP A 169
GLY A 173
PHE A 176
ASN A 177
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
UFP  A 301 (-2.8A)
C2F  A 302 ( 4.6A)
 0.92A 4eb4A-4fogA:
37.5		 4eb4A-4fogA:
48.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_A_D16A402_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		6 / 12 ILE A  79
TRP A  80
ASP A 169
GLY A 173
ASN A 177
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
UFP  A 301 (-2.8A)
C2F  A 302 ( 4.6A)
 0.61A 4eb4A-4fogA:
37.5		 4eb4A-4fogA:
48.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		6 / 12 ILE A  79
ASP A 169
GLY A 173
PHE A 176
ASN A 177
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
UFP  A 301 (-2.8A)
C2F  A 302 ( 4.6A)
 0.89A 4eb4B-4fogA:
37.7		 4eb4B-4fogA:
48.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		6 / 12 ILE A  79
TRP A  80
ASP A 169
GLY A 173
ASN A 177
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
UFP  A 301 (-2.8A)
C2F  A 302 ( 4.6A)
 0.59A 4eb4B-4fogA:
37.7		 4eb4B-4fogA:
48.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 9 ILE A  79
ASP A 169
GLY A 173
ASN A 177
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
UFP  A 301 (-2.8A)
C2F  A 302 ( 4.6A)
 0.59A 4eb4C-4fogA:
36.4		 4eb4C-4fogA:
48.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 9 ILE A  79
GLY A 173
PHE A 176
ASN A 177
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
UFP  A 301 (-2.8A)
C2F  A 302 ( 4.6A)
 1.07A 4eb4C-4fogA:
36.4		 4eb4C-4fogA:
48.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		6 / 10 ILE A  79
ASP A 169
GLY A 173
PHE A 176
ASN A 177
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
UFP  A 301 (-2.8A)
C2F  A 302 ( 4.6A)
 0.99A 4eb4D-4fogA:
37.8		 4eb4D-4fogA:
48.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EB4_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		6 / 10 ILE A  79
TRP A  80
ASP A 169
GLY A 173
ASN A 177
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
UFP  A 301 (-2.8A)
C2F  A 302 ( 4.6A)
 0.67A 4eb4D-4fogA:
37.8		 4eb4D-4fogA:
48.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOG_A_C2FA302_0
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		11 / 11 LYS A  48
HIS A  51
SER A  54
ILE A  79
TRP A  80
TRP A  83
LEU A 143
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 ( 3.9A)
C2F  A 302 (-3.9A)
C2F  A 302 (-3.4A)
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-3.9A)
C2F  A 302 (-4.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.01A 4fogA-4fogA:
46.9		 4fogA-4fogA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOG_C_C2FC302_0
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		9 / 11 HIS A  51
SER A  54
ILE A  79
TRP A  80
LEU A 143
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 (-3.9A)
C2F  A 302 (-3.4A)
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-4.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.34A 4fogC-4fogA:
43.5		 4fogC-4fogA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOG_D_C2FD302_0
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		8 / 11 LYS A  48
ILE A  79
TRP A  80
LEU A 143
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 ( 3.9A)
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-4.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.33A 4fogD-4fogA:
43.2		 4fogD-4fogA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_A_D16A301_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		10 / 12 HIS A  51
SER A  54
GLU A  58
ILE A  79
TRP A  80
LEU A 143
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 (-3.9A)
C2F  A 302 (-3.4A)
None
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-4.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.43A 4foxA-4fogA:
43.7		 4foxA-4fogA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_B_D16B302_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		9 / 12 HIS A  51
GLU A  58
ILE A  79
TRP A  80
TRP A  83
LEU A 143
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 (-3.9A)
None
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-3.9A)
C2F  A 302 (-4.8A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 1.01A 4foxB-4fogA:
43.5		 4foxB-4fogA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_B_D16B302_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		10 / 12 SER A  54
GLU A  58
ILE A  79
TRP A  80
TRP A  83
LEU A 143
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 (-3.4A)
None
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-3.9A)
C2F  A 302 (-4.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.39A 4foxB-4fogA:
43.5		 4foxB-4fogA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_C_D16C301_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		9 / 11 HIS A  51
SER A  54
GLU A  58
TRP A  80
LEU A 143
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 (-3.9A)
C2F  A 302 (-3.4A)
None
C2F  A 302 ( 3.8A)
C2F  A 302 (-4.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.46A 4foxC-4fogA:
42.8		 4foxC-4fogA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_D_D16D301_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		9 / 12 SER A  54
GLU A  58
ILE A  79
TRP A  80
TRP A  83
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 (-3.4A)
None
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-3.9A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.44A 4foxD-4fogA:
43.5		 4foxD-4fogA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_E_D16E301_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		10 / 12 LYS A  48
HIS A  51
SER A  54
GLU A  58
ILE A  79
TRP A  80
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 ( 3.9A)
C2F  A 302 (-3.9A)
C2F  A 302 (-3.4A)
None
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.35A 4foxE-4fogA:
43.9		 4foxE-4fogA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_F_D16F301_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		9 / 11 HIS A  51
GLU A  58
ILE A  79
TRP A  80
LEU A 143
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 (-3.9A)
None
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-4.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.47A 4foxF-4fogA:
43.1		 4foxF-4fogA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_G_D16G301_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		11 / 12 HIS A  51
SER A  54
GLU A  58
ILE A  79
TRP A  80
TRP A  83
LEU A 143
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 (-3.9A)
C2F  A 302 (-3.4A)
None
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-3.9A)
C2F  A 302 (-4.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.43A 4foxG-4fogA:
43.6		 4foxG-4fogA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FOX_H_D16H301_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		10 / 11 HIS A  51
SER A  54
GLU A  58
ILE A  79
TRP A  80
TRP A  83
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 (-3.9A)
C2F  A 302 (-3.4A)
None
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-3.9A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.46A 4foxH-4fogA:
43.1		 4foxH-4fogA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		9 / 12 HIS A  51
GLU A  58
ILE A  79
TRP A  80
TRP A  83
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 (-3.9A)
None
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-3.9A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.45A 4fqsA-4fogA:
43.4		 4fqsA-4fogA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FQS_B_LYAB302_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		9 / 12 HIS A  51
GLU A  58
ILE A  79
TRP A  80
TRP A  83
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 (-3.9A)
None
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-3.9A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.45A 4fqsB-4fogA:
43.5		 4fqsB-4fogA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KRH_B_SAMB900_1
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
2)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		4 / 4 ILE A  13
SER A  15
ASP A 229
ASP A 234
 C2F  A3000 ( 4.4A)
None
C2F  A3000 (-3.7A)
None
 1.19A 4krhB-4o1eA:
undetectable		 4krhB-4o1eA:
22.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4L64_A_C2FA802_0
(5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE)		 1xpg 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE
(Thermotoga
maritima) 		6 / 7 LYS A  18
TRP A 486
SER A 489
TYR A 490
ARG A 493
TRP A 539
 C2F  A1882 (-2.4A)
None
C2F  A1882 (-3.0A)
None
C2F  A1882 ( 3.5A)
C2F  A1882 (-3.7A)
 0.49A 4l64A-1xpgA:
49.6		 4l64A-1xpgA:
42.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4L65_A_C2FA802_0
(5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE)		 1xpg 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE
(Thermotoga
maritima) 		5 / 9 LYS A  18
ASP A 467
SER A 489
TYR A 490
ARG A 493
 C2F  A1882 (-2.4A)
C2F  A1882 ( 4.9A)
C2F  A1882 (-3.0A)
None
C2F  A1882 ( 3.5A)
 0.79A 4l65A-1xpgA:
49.6		 4l65A-1xpgA:
42.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4L65_A_C2FA802_0
(5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE)		 1xpg 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE
(Thermotoga
maritima) 		5 / 9 LYS A  18
SER A 489
TYR A 490
ARG A 493
TRP A 539
 C2F  A1882 (-2.4A)
C2F  A1882 (-3.0A)
None
C2F  A1882 ( 3.5A)
C2F  A1882 (-3.7A)
 0.72A 4l65A-1xpgA:
49.6		 4l65A-1xpgA:
42.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4L6H_A_MTXA803_1
(5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE)		 1xpg 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE
(Thermotoga
maritima) 		5 / 10 LYS A  18
ASP A 467
TRP A 486
SER A 489
PRO A 498
 C2F  A1882 (-2.4A)
C2F  A1882 ( 4.9A)
None
C2F  A1882 (-3.0A)
None
 0.82A 4l6hA-1xpgA:
50.0		 4l6hA-1xpgA:
42.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4L6H_A_MTXA803_1
(5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE)		 1xpg 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE
(Thermotoga
maritima) 		5 / 10 LYS A  18
TRP A 486
SER A 489
PRO A 498
TRP A 539
 C2F  A1882 (-2.4A)
None
C2F  A1882 (-3.0A)
None
C2F  A1882 (-3.7A)
 0.51A 4l6hA-1xpgA:
50.0		 4l6hA-1xpgA:
42.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4O1E_A_C2FA3000_0
(DIHYDROPTEROATE
SYNTHASE DHPS)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		7 / 12 ASN A  10
ASP A  76
ILE A 121
ASP A 161
GLY A 197
SER A 199
ILE A 228
 C2F  A3000 ( 4.8A)
C2F  A3000 (-3.4A)
C2F  A3000 ( 4.2A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.6A)
GOL  A1270 ( 3.9A)
C2F  A3000 (-4.6A)
 1.09A 4o1eA-2ycjA:
35.3		 4o1eA-2ycjA:
36.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4O1E_A_C2FA3000_0
(DIHYDROPTEROATE
SYNTHASE DHPS)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		5 / 12 ASN A  46
ILE A 121
ASP A 161
GLY A 197
ILE A 228
 None
C2F  A3000 ( 4.2A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.6A)
C2F  A3000 (-4.6A)
 0.80A 4o1eA-2ycjA:
35.3		 4o1eA-2ycjA:
36.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4O1E_A_C2FA3000_0
(DIHYDROPTEROATE
SYNTHASE DHPS)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		8 / 12 GLU A   7
ASN A  10
ASP A  76
ILE A 121
LEU A 123
ASP A 161
GLY A 197
ILE A 228
 C2F  A3000 ( 4.1A)
C2F  A3000 ( 4.8A)
C2F  A3000 (-3.4A)
C2F  A3000 ( 4.2A)
None
C2F  A3000 (-3.5A)
C2F  A3000 (-3.6A)
C2F  A3000 (-4.6A)
 0.59A 4o1eA-2ycjA:
35.3		 4o1eA-2ycjA:
36.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4O1E_A_C2FA3000_0
(DIHYDROPTEROATE
SYNTHASE DHPS)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		7 / 12 ASN A  10
ILE A  13
ASP A  44
ILE A 121
ASP A 161
GLY A 196
SER A 198
 C2F  A3000 ( 4.5A)
C2F  A3000 ( 4.4A)
None
C2F  A3000 ( 4.1A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 3.8A)
 1.31A 4o1eA-4o1eA:
49.4		 4o1eA-4o1eA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4O1E_A_C2FA3000_0
(DIHYDROPTEROATE
SYNTHASE DHPS)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		12 / 12 GLU A   7
ASN A  10
ILE A  13
ASP A  76
ILE A 121
LEU A 123
ASP A 161
GLY A 196
SER A 198
LYS A 208
ILE A 227
ASN A 232
 C2F  A3000 (-3.6A)
C2F  A3000 ( 4.5A)
C2F  A3000 ( 4.4A)
C2F  A3000 (-3.6A)
C2F  A3000 ( 4.1A)
None
C2F  A3000 (-3.5A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 3.8A)
C2F  A3000 (-3.8A)
C2F  A3000 (-4.3A)
C2F  A3000 (-4.0A)
 0.14A 4o1eA-4o1eA:
49.4		 4o1eA-4o1eA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4O1E_A_C2FA3000_0
(DIHYDROPTEROATE
SYNTHASE DHPS)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		6 / 12 GLU A   7
ASN A  10
ILE A  13
LEU A 163
ASP A 161
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 ( 4.5A)
C2F  A3000 ( 4.4A)
None
C2F  A3000 (-3.5A)
C2F  A3000 (-4.3A)
 1.26A 4o1eA-4o1eA:
49.4		 4o1eA-4o1eA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O1E_A_C2FA3000_0
(DIHYDROPTEROATE
SYNTHASE DHPS)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		5 / 12 ASN A 376
ASP A 443
GLY A 570
SER A 572
ILE A 603
 NA  A3005 (-3.0A)
C2F  A3001 (-2.5A)
C2F  A3001 (-3.5A)
C2F  A3001 ( 4.5A)
C2F  A3001 (-3.5A)
 1.16A 4o1eA-5vopA:
28.2		 4o1eA-5vopA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O1E_A_C2FA3000_0
(DIHYDROPTEROATE
SYNTHASE DHPS)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		7 / 12 GLU A 373
ASN A 376
ASP A 443
LEU A 492
ASP A 531
GLY A 570
ILE A 603
 C2F  A3001 (-3.7A)
NA  A3005 (-3.0A)
C2F  A3001 (-2.5A)
None
C2F  A3001 (-2.5A)
C2F  A3001 (-3.5A)
C2F  A3001 (-3.5A)
 0.50A 4o1eA-5vopA:
28.2		 4o1eA-5vopA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4O1E_A_C2FA3000_1
(DIHYDROPTEROATE
SYNTHASE DHPS)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		3 / 3 LYS A   8
ASN A  97
ASP A 229
 C2F  A3000 (-2.7A)
C2F  A3000 (-3.0A)
C2F  A3000 (-3.7A)
 0.00A 4o1eA-4o1eA:
49.4		 4o1eA-4o1eA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4O1E_B_C2FB4000_0
(DIHYDROPTEROATE
SYNTHASE DHPS)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		6 / 12 ASN A  10
ASP A  76
ILE A 121
GLY A 197
SER A 199
ILE A 228
 C2F  A3000 ( 4.8A)
C2F  A3000 (-3.4A)
C2F  A3000 ( 4.2A)
C2F  A3000 (-3.6A)
GOL  A1270 ( 3.9A)
C2F  A3000 (-4.6A)
 1.15A 4o1eB-2ycjA:
34.8		 4o1eB-2ycjA:
36.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4O1E_B_C2FB4000_0
(DIHYDROPTEROATE
SYNTHASE DHPS)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		8 / 12 GLU A   7
ASN A  10
ASP A  76
ILE A 121
LEU A 123
GLY A 197
ASN A 200
ILE A 228
 C2F  A3000 ( 4.1A)
C2F  A3000 ( 4.8A)
C2F  A3000 (-3.4A)
C2F  A3000 ( 4.2A)
None
C2F  A3000 (-3.6A)
C2F  A3000 (-3.1A)
C2F  A3000 (-4.6A)
 0.87A 4o1eB-2ycjA:
34.8		 4o1eB-2ycjA:
36.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4O1E_B_C2FB4000_0
(DIHYDROPTEROATE
SYNTHASE DHPS)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		7 / 12 ASN A  10
ILE A  13
ASP A  44
ILE A 121
GLY A 196
SER A 198
ASN A 199
 C2F  A3000 ( 4.5A)
C2F  A3000 ( 4.4A)
None
C2F  A3000 ( 4.1A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 3.8A)
C2F  A3000 ( 4.3A)
 1.33A 4o1eB-4o1eA:
45.8		 4o1eB-4o1eA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4O1E_B_C2FB4000_0
(DIHYDROPTEROATE
SYNTHASE DHPS)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		12 / 12 GLU A   7
ASN A  10
ILE A  13
ASP A  76
ILE A 121
LEU A 123
GLY A 196
SER A 198
ASN A 199
LYS A 208
ILE A 227
ASN A 232
 C2F  A3000 (-3.6A)
C2F  A3000 ( 4.5A)
C2F  A3000 ( 4.4A)
C2F  A3000 (-3.6A)
C2F  A3000 ( 4.1A)
None
C2F  A3000 (-3.5A)
C2F  A3000 ( 3.8A)
C2F  A3000 ( 4.3A)
C2F  A3000 (-3.8A)
C2F  A3000 (-4.3A)
C2F  A3000 (-4.0A)
 0.29A 4o1eB-4o1eA:
45.8		 4o1eB-4o1eA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4O1E_B_C2FB4000_0
(DIHYDROPTEROATE
SYNTHASE DHPS)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		5 / 12 GLU A   7
ASN A  10
ILE A  13
LEU A 163
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 ( 4.5A)
C2F  A3000 ( 4.4A)
None
C2F  A3000 (-4.3A)
 0.94A 4o1eB-4o1eA:
45.8		 4o1eB-4o1eA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O1E_B_C2FB4000_0
(DIHYDROPTEROATE
SYNTHASE DHPS)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		5 / 12 ASN A 376
ASP A 443
GLY A 570
SER A 572
ILE A 603
 NA  A3005 (-3.0A)
C2F  A3001 (-2.5A)
C2F  A3001 (-3.5A)
C2F  A3001 ( 4.5A)
C2F  A3001 (-3.5A)
 1.16A 4o1eB-5vopA:
28.0		 4o1eB-5vopA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O1E_B_C2FB4000_0
(DIHYDROPTEROATE
SYNTHASE DHPS)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		5 / 12 ASP A 443
LEU A 492
GLY A 570
ASN A 573
ILE A 603
 C2F  A3001 (-2.5A)
None
C2F  A3001 (-3.5A)
C2F  A3001 (-2.6A)
C2F  A3001 (-3.5A)
 0.89A 4o1eB-5vopA:
28.0		 4o1eB-5vopA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O1E_B_C2FB4000_0
(DIHYDROPTEROATE
SYNTHASE DHPS)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		6 / 12 GLU A 373
ASN A 376
ASP A 443
LEU A 492
GLY A 570
ILE A 603
 C2F  A3001 (-3.7A)
NA  A3005 (-3.0A)
C2F  A3001 (-2.5A)
None
C2F  A3001 (-3.5A)
C2F  A3001 (-3.5A)
 0.51A 4o1eB-5vopA:
28.0		 4o1eB-5vopA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4O1E_B_C2FB4000_1
(DIHYDROPTEROATE
SYNTHASE DHPS)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		4 / 4 LYS A   8
ASN A  97
ASP A 161
ASP A 229
 C2F  A3000 (-2.7A)
C2F  A3000 (-3.0A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.7A)
 0.14A 4o1eB-4o1eA:
45.8		 4o1eB-4o1eA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EWJ_D_QELD503_1
(NMDA GLUTAMATE
RECEPTOR SUBUNIT
GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 2B)		 3ijd UNCHARACTERIZED
PROTEIN
(Ruminiclostridiu
m
thermocellum) 		5 / 12 TYR A  93
LEU A 231
PRO A  75
ILE A  51
THR A 224
 None
C2F  A 314 (-3.9A)
None
None
None
 1.42A 5ewjC-3ijdA:
undetectable
5ewjD-3ijdA:
undetectable		 5ewjC-3ijdA:
22.06
5ewjD-3ijdA:
22.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FCT_A_C2FA402_0
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		6 / 11 ILE A  79
TRP A  80
LEU A 143
ASP A 169
GLY A 173
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-4.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 ( 4.6A)
 0.55A 5fctA-4fogA:
38.1		 5fctA-4fogA:
48.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FCT_B_C2FB402_0
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		7 / 12 LYS A  48
VAL A  50
ILE A  79
TRP A  80
LEU A 143
CYH A 146
TYR A 209
 C2F  A 302 ( 3.9A)
None
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-4.8A)
UFP  A 301 (-2.9A)
C2F  A 302 ( 4.6A)
 0.45A 5fctB-4fogA:
38.2		 5fctB-4fogA:
48.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5H3A_A_D16A401_1
(ORF70)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		4 / 7 ILE A  79
ASP A 169
GLY A 173
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 ( 4.6A)
 0.56A 5h3aA-4fogA:
21.4		 5h3aA-4fogA:
49.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5H3A_B_D16B401_1
(ORF70)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		4 / 7 ILE A  79
ASP A 169
GLY A 173
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 ( 4.6A)
 0.47A 5h3aB-4fogA:
36.6		 5h3aB-4fogA:
49.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5J7W_C_MTXC402_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		8 / 12 GLU A  58
ILE A  79
TRP A  83
LEU A 143
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 None
C2F  A 302 (-3.3A)
C2F  A 302 (-3.9A)
C2F  A 302 (-4.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.49A 5j7wC-4fogA:
39.9		 5j7wC-4fogA:
52.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5J7W_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		9 / 12 GLU A  58
ILE A  79
TRP A  80
TRP A  83
LEU A 143
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 None
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-3.9A)
C2F  A 302 (-4.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.48A 5j7wD-4fogA:
39.6		 5j7wD-4fogA:
52.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NOO_A_D16A402_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		4 / 7 ILE A  79
ASP A 169
GLY A 173
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 ( 4.6A)
 0.57A 5nooA-4fogA:
35.8		 5nooA-4fogA:
43.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NOO_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		4 / 7 ILE A  79
ASP A 169
GLY A 173
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 ( 4.6A)
 0.65A 5nooB-4fogA:
35.6		 5nooB-4fogA:
43.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VOO_A_C2FA3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		8 / 12 GLU A   7
LYS A  14
ASP A  44
LEU A 123
GLY A 197
SER A 199
ARG A 208
ILE A 228
 C2F  A3000 ( 4.1A)
None
C2F  A3000 ( 4.5A)
None
C2F  A3000 (-3.6A)
GOL  A1270 ( 3.9A)
C2F  A3000 ( 2.6A)
C2F  A3000 (-4.6A)
 0.67A 5vooA-2ycjA:
29.9		 5vooA-2ycjA:
30.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_A_C2FA3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		5 / 12 GLU A   7
ASP A  44
LEU A 123
GLY A 196
ILE A 227
 C2F  A3000 (-3.6A)
None
None
C2F  A3000 (-3.5A)
C2F  A3000 (-4.3A)
 0.55A 5vooA-4o1eA:
27.8		 5vooA-4o1eA:
28.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_A_C2FA3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		10 / 12 GLU A 373
GLY A 379
LYS A 381
ASP A 411
VAL A 490
LEU A 492
GLY A 570
SER A 572
ARG A 583
ILE A 603
 C2F  A3001 (-3.7A)
C2F  A3001 (-3.3A)
None
C2F  A3001 ( 3.8A)
C2F  A3001 ( 4.7A)
None
C2F  A3001 (-3.5A)
C2F  A3001 ( 4.5A)
C2F  A3001 (-3.0A)
C2F  A3001 (-3.5A)
 0.23A 5vooA-5vopA:
48.1		 5vooA-5vopA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VOO_A_C2FA3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		4 / 5 ASN A  10
ASP A  44
ASP A 161
ASN A 200
 C2F  A3000 ( 4.8A)
C2F  A3000 ( 4.5A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.1A)
 1.47A 5vooA-2ycjA:
29.9		 5vooA-2ycjA:
30.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VOO_A_C2FA3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		5 / 5 ASN A  10
ASP A  76
ASN A  97
ASP A 161
ASN A 200
 C2F  A3000 ( 4.8A)
C2F  A3000 (-3.4A)
C2F  A3000 (-3.0A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.1A)
 0.31A 5vooA-2ycjA:
29.9		 5vooA-2ycjA:
30.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_A_C2FA3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		4 / 5 ASN A  10
ASP A  76
ASN A  97
ASP A 161
 C2F  A3000 ( 4.5A)
C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 (-3.5A)
 0.25A 5vooA-4o1eA:
27.8		 5vooA-4o1eA:
28.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_A_C2FA3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		4 / 5 ASP A  76
ASN A  97
ASP A 161
ASN A 199
 C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 4.3A)
 0.83A 5vooA-4o1eA:
27.8		 5vooA-4o1eA:
28.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_A_C2FA3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		4 / 5 ASN A 376
ASP A 411
ASP A 531
ASN A 573
 NA  A3005 (-3.0A)
C2F  A3001 ( 3.8A)
C2F  A3001 (-2.5A)
C2F  A3001 (-2.6A)
 1.41A 5vooA-5vopA:
48.1		 5vooA-5vopA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_A_C2FA3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		5 / 5 ASN A 376
ASP A 443
ASN A 464
ASP A 531
ASN A 573
 NA  A3005 (-3.0A)
C2F  A3001 (-2.5A)
C2F  A3001 (-2.2A)
C2F  A3001 (-2.5A)
C2F  A3001 (-2.6A)
 0.09A 5vooA-5vopA:
48.1		 5vooA-5vopA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VOO_B_C2FB702_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		6 / 12 ASN A  10
LYS A  14
ASP A  44
LEU A 123
GLY A 197
ILE A 228
 C2F  A3000 ( 4.8A)
None
C2F  A3000 ( 4.5A)
None
C2F  A3000 (-3.6A)
C2F  A3000 (-4.6A)
 0.92A 5vooB-2ycjA:
29.9		 5vooB-2ycjA:
30.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VOO_B_C2FB702_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		5 / 12 ASN A  46
ASP A  44
LEU A 123
GLY A 197
ILE A 228
 None
C2F  A3000 ( 4.5A)
None
C2F  A3000 (-3.6A)
C2F  A3000 (-4.6A)
 1.11A 5vooB-2ycjA:
29.9		 5vooB-2ycjA:
30.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VOO_B_C2FB702_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		7 / 12 GLU A   7
ASN A  10
ASP A  44
LEU A 123
GLY A 197
SER A 199
ILE A 228
 C2F  A3000 ( 4.1A)
C2F  A3000 ( 4.8A)
C2F  A3000 ( 4.5A)
None
C2F  A3000 (-3.6A)
GOL  A1270 ( 3.9A)
C2F  A3000 (-4.6A)
 0.40A 5vooB-2ycjA:
29.9		 5vooB-2ycjA:
30.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_B_C2FB702_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		6 / 12 GLU A   7
ASN A  10
ASP A  44
LEU A 123
GLY A 196
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 ( 4.5A)
None
None
C2F  A3000 (-3.5A)
C2F  A3000 (-4.3A)
 0.52A 5vooB-4o1eA:
27.8		 5vooB-4o1eA:
28.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_B_C2FB702_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		5 / 12 GLU A   7
ASN A  10
LEU A 163
GLY A 196
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 ( 4.5A)
None
C2F  A3000 (-3.5A)
C2F  A3000 (-4.3A)
 1.00A 5vooB-4o1eA:
27.8		 5vooB-4o1eA:
28.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_B_C2FB702_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		10 / 12 GLU A 373
ASN A 376
GLY A 379
LYS A 381
ASP A 411
VAL A 490
LEU A 492
GLY A 570
SER A 572
ILE A 603
 C2F  A3001 (-3.7A)
NA  A3005 (-3.0A)
C2F  A3001 (-3.3A)
None
C2F  A3001 ( 3.8A)
C2F  A3001 ( 4.7A)
None
C2F  A3001 (-3.5A)
C2F  A3001 ( 4.5A)
C2F  A3001 (-3.5A)
 0.57A 5vooB-5vopA:
47.5		 5vooB-5vopA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VOO_B_C2FB702_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		5 / 5 ASP A  76
ASN A  97
ASP A 161
ASN A 200
ARG A 208
 C2F  A3000 (-3.4A)
C2F  A3000 (-3.0A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.1A)
C2F  A3000 ( 2.6A)
 0.32A 5vooB-2ycjA:
29.9		 5vooB-2ycjA:
30.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_B_C2FB702_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		5 / 5 ASP A  76
ASN A  97
ASP A 161
ASN A 199
ARG A 207
 C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 4.3A)
None
 0.79A 5vooB-4o1eA:
27.8		 5vooB-4o1eA:
28.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_B_C2FB702_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		5 / 5 ASP A 443
ASN A 464
ASP A 531
ASN A 573
ARG A 583
 C2F  A3001 (-2.5A)
C2F  A3001 (-2.2A)
C2F  A3001 (-2.5A)
C2F  A3001 (-2.6A)
C2F  A3001 (-3.0A)
 0.14A 5vooB-5vopA:
47.5		 5vooB-5vopA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VOO_C_C2FC702_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		8 / 12 GLU A   7
LYS A  14
ASP A  44
LEU A 123
GLY A 197
SER A 199
ARG A 208
ILE A 228
 C2F  A3000 ( 4.1A)
None
C2F  A3000 ( 4.5A)
None
C2F  A3000 (-3.6A)
GOL  A1270 ( 3.9A)
C2F  A3000 ( 2.6A)
C2F  A3000 (-4.6A)
 0.75A 5vooC-2ycjA:
30.2		 5vooC-2ycjA:
30.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_C_C2FC702_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		5 / 12 GLU A   7
ASP A  44
LEU A 123
GLY A 196
ILE A 227
 C2F  A3000 (-3.6A)
None
None
C2F  A3000 (-3.5A)
C2F  A3000 (-4.3A)
 0.56A 5vooC-4o1eA:
28.0		 5vooC-4o1eA:
28.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_C_C2FC702_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		10 / 12 GLU A 373
GLY A 379
LYS A 381
ASP A 411
VAL A 490
LEU A 492
GLY A 570
SER A 572
ARG A 583
ILE A 603
 C2F  A3001 (-3.7A)
C2F  A3001 (-3.3A)
None
C2F  A3001 ( 3.8A)
C2F  A3001 ( 4.7A)
None
C2F  A3001 (-3.5A)
C2F  A3001 ( 4.5A)
C2F  A3001 (-3.0A)
C2F  A3001 (-3.5A)
 0.37A 5vooC-5vopA:
47.6		 5vooC-5vopA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VOO_C_C2FC702_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		4 / 5 ASN A  10
ASP A  44
ASP A 161
ASN A 200
 C2F  A3000 ( 4.8A)
C2F  A3000 ( 4.5A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.1A)
 1.44A 5vooC-2ycjA:
30.2		 5vooC-2ycjA:
30.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VOO_C_C2FC702_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		5 / 5 ASN A  10
ASP A  76
ASN A  97
ASP A 161
ASN A 200
 C2F  A3000 ( 4.8A)
C2F  A3000 (-3.4A)
C2F  A3000 (-3.0A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.1A)
 0.30A 5vooC-2ycjA:
30.2		 5vooC-2ycjA:
30.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_C_C2FC702_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		4 / 5 ASN A  10
ASP A  76
ASN A  97
ASP A 161
 C2F  A3000 ( 4.5A)
C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 (-3.5A)
 0.24A 5vooC-4o1eA:
28.0		 5vooC-4o1eA:
28.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_C_C2FC702_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		4 / 5 ASP A  76
ASN A  97
ASP A 161
ASN A 199
 C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 4.3A)
 0.76A 5vooC-4o1eA:
28.0		 5vooC-4o1eA:
28.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_C_C2FC702_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		4 / 5 ASN A 376
ASP A 411
ASP A 531
ASN A 573
 NA  A3005 (-3.0A)
C2F  A3001 ( 3.8A)
C2F  A3001 (-2.5A)
C2F  A3001 (-2.6A)
 1.39A 5vooC-5vopA:
47.6		 5vooC-5vopA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_C_C2FC702_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		5 / 5 ASN A 376
ASP A 443
ASN A 464
ASP A 531
ASN A 573
 NA  A3005 (-3.0A)
C2F  A3001 (-2.5A)
C2F  A3001 (-2.2A)
C2F  A3001 (-2.5A)
C2F  A3001 (-2.6A)
 0.13A 5vooC-5vopA:
47.6		 5vooC-5vopA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VOO_D_C2FD3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		5 / 12 ASN A  46
ASP A  44
LEU A 123
GLY A 197
ILE A 228
 None
C2F  A3000 ( 4.5A)
None
C2F  A3000 (-3.6A)
C2F  A3000 (-4.6A)
 1.04A 5vooD-2ycjA:
29.9		 5vooD-2ycjA:
30.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VOO_D_C2FD3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		8 / 12 GLU A   7
ASN A  10
LYS A  14
ASP A  44
LEU A 123
GLY A 197
SER A 199
ILE A 228
 C2F  A3000 ( 4.1A)
C2F  A3000 ( 4.8A)
None
C2F  A3000 ( 4.5A)
None
C2F  A3000 (-3.6A)
GOL  A1270 ( 3.9A)
C2F  A3000 (-4.6A)
 0.89A 5vooD-2ycjA:
29.9		 5vooD-2ycjA:
30.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_D_C2FD3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		6 / 12 GLU A   7
ASN A  10
ASP A  44
LEU A 123
GLY A 196
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 ( 4.5A)
None
None
C2F  A3000 (-3.5A)
C2F  A3000 (-4.3A)
 0.57A 5vooD-4o1eA:
27.9		 5vooD-4o1eA:
28.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_D_C2FD3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		5 / 12 GLU A   7
ASN A  10
LEU A 163
GLY A 196
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 ( 4.5A)
None
C2F  A3000 (-3.5A)
C2F  A3000 (-4.3A)
 1.05A 5vooD-4o1eA:
27.9		 5vooD-4o1eA:
28.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_D_C2FD3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		8 / 12 ASN A 376
GLY A 379
LYS A 381
ASP A 443
MET A 441
VAL A 490
GLY A 570
PHE A 576
 NA  A3005 (-3.0A)
C2F  A3001 (-3.3A)
None
C2F  A3001 (-2.5A)
C2F  A3001 ( 4.8A)
C2F  A3001 ( 4.7A)
C2F  A3001 (-3.5A)
C2F  A3001 (-4.7A)
 1.46A 5vooD-5vopA:
46.4		 5vooD-5vopA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_D_C2FD3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		12 / 12 GLU A 373
ASN A 376
GLY A 379
LYS A 381
ASP A 411
MET A 441
VAL A 490
LEU A 492
GLY A 570
SER A 572
PHE A 576
ILE A 603
 C2F  A3001 (-3.7A)
NA  A3005 (-3.0A)
C2F  A3001 (-3.3A)
None
C2F  A3001 ( 3.8A)
C2F  A3001 ( 4.8A)
C2F  A3001 ( 4.7A)
None
C2F  A3001 (-3.5A)
C2F  A3001 ( 4.5A)
C2F  A3001 (-4.7A)
C2F  A3001 (-3.5A)
 0.54A 5vooD-5vopA:
46.4		 5vooD-5vopA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VOO_D_C2FD3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		5 / 5 ASP A  76
ASN A  97
ASP A 161
ASN A 200
ARG A 208
 C2F  A3000 (-3.4A)
C2F  A3000 (-3.0A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.1A)
C2F  A3000 ( 2.6A)
 0.37A 5vooD-2ycjA:
29.9		 5vooD-2ycjA:
30.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_D_C2FD3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		5 / 5 ASP A  76
ASN A  97
ASP A 161
ASN A 199
ARG A 207
 C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 4.3A)
None
 0.76A 5vooD-4o1eA:
27.9		 5vooD-4o1eA:
28.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_D_C2FD3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		5 / 5 ASP A 443
ASN A 464
ASP A 531
ASN A 573
ARG A 583
 C2F  A3001 (-2.5A)
C2F  A3001 (-2.2A)
C2F  A3001 (-2.5A)
C2F  A3001 (-2.6A)
C2F  A3001 (-3.0A)
 0.15A 5vooD-5vopA:
46.4		 5vooD-5vopA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VOO_E_C2FE3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		8 / 12 GLU A   7
LYS A  14
ASP A  44
LEU A 123
GLY A 197
SER A 199
ARG A 208
ILE A 228
 C2F  A3000 ( 4.1A)
None
C2F  A3000 ( 4.5A)
None
C2F  A3000 (-3.6A)
GOL  A1270 ( 3.9A)
C2F  A3000 ( 2.6A)
C2F  A3000 (-4.6A)
 0.91A 5vooE-2ycjA:
29.8		 5vooE-2ycjA:
30.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_E_C2FE3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		5 / 12 GLU A   7
ASP A  44
LEU A 123
GLY A 196
ILE A 227
 C2F  A3000 (-3.6A)
None
None
C2F  A3000 (-3.5A)
C2F  A3000 (-4.3A)
 0.64A 5vooE-4o1eA:
27.8		 5vooE-4o1eA:
28.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_E_C2FE3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		11 / 12 GLU A 373
GLY A 379
LYS A 381
ASP A 411
MET A 441
VAL A 490
LEU A 492
GLY A 570
SER A 572
ARG A 583
ILE A 603
 C2F  A3001 (-3.7A)
C2F  A3001 (-3.3A)
None
C2F  A3001 ( 3.8A)
C2F  A3001 ( 4.8A)
C2F  A3001 ( 4.7A)
None
C2F  A3001 (-3.5A)
C2F  A3001 ( 4.5A)
C2F  A3001 (-3.0A)
C2F  A3001 (-3.5A)
 0.56A 5vooE-5vopA:
46.1		 5vooE-5vopA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VOO_E_C2FE3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		4 / 5 ASN A  10
ASP A  44
ASP A 161
ASN A 200
 C2F  A3000 ( 4.8A)
C2F  A3000 ( 4.5A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.1A)
 1.40A 5vooE-2ycjA:
29.8		 5vooE-2ycjA:
30.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VOO_E_C2FE3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		5 / 5 ASN A  10
ASP A  76
ASN A  97
ASP A 161
ASN A 200
 C2F  A3000 ( 4.8A)
C2F  A3000 (-3.4A)
C2F  A3000 (-3.0A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.1A)
 0.38A 5vooE-2ycjA:
29.8		 5vooE-2ycjA:
30.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_E_C2FE3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		4 / 5 ASN A  10
ASP A  76
ASN A  97
ASP A 161
 C2F  A3000 ( 4.5A)
C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 (-3.5A)
 0.29A 5vooE-4o1eA:
27.8		 5vooE-4o1eA:
28.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_E_C2FE3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		4 / 5 ASP A  76
ASN A  97
ASP A 161
ASN A 199
 C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 4.3A)
 0.80A 5vooE-4o1eA:
27.8		 5vooE-4o1eA:
28.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_E_C2FE3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		4 / 5 ASN A 376
ASP A 411
ASP A 531
ASN A 573
 NA  A3005 (-3.0A)
C2F  A3001 ( 3.8A)
C2F  A3001 (-2.5A)
C2F  A3001 (-2.6A)
 1.32A 5vooE-5vopA:
46.1		 5vooE-5vopA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_E_C2FE3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		5 / 5 ASN A 376
ASP A 443
ASN A 464
ASP A 531
ASN A 573
 NA  A3005 (-3.0A)
C2F  A3001 (-2.5A)
C2F  A3001 (-2.2A)
C2F  A3001 (-2.5A)
C2F  A3001 (-2.6A)
 0.18A 5vooE-5vopA:
46.1		 5vooE-5vopA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VOO_F_C2FF3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		6 / 12 ASN A  10
LYS A  14
ASP A  76
GLY A 197
SER A 199
ARG A 208
 C2F  A3000 ( 4.8A)
None
C2F  A3000 (-3.4A)
C2F  A3000 (-3.6A)
GOL  A1270 ( 3.9A)
C2F  A3000 ( 2.6A)
 1.44A 5vooF-2ycjA:
29.8		 5vooF-2ycjA:
30.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VOO_F_C2FF3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		5 / 12 ASN A  46
ASP A  44
LEU A 123
GLY A 197
ILE A 228
 None
C2F  A3000 ( 4.5A)
None
C2F  A3000 (-3.6A)
C2F  A3000 (-4.6A)
 1.05A 5vooF-2ycjA:
29.8		 5vooF-2ycjA:
30.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VOO_F_C2FF3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		9 / 12 GLU A   7
ASN A  10
LYS A  14
ASP A  44
LEU A 123
GLY A 197
SER A 199
ARG A 208
ILE A 228
 C2F  A3000 ( 4.1A)
C2F  A3000 ( 4.8A)
None
C2F  A3000 ( 4.5A)
None
C2F  A3000 (-3.6A)
GOL  A1270 ( 3.9A)
C2F  A3000 ( 2.6A)
C2F  A3000 (-4.6A)
 0.67A 5vooF-2ycjA:
29.8		 5vooF-2ycjA:
30.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_F_C2FF3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		5 / 12 ASN A  10
LEU A 123
GLY A 196
ARG A 207
ILE A 227
 C2F  A3000 ( 4.5A)
None
C2F  A3000 (-3.5A)
None
C2F  A3000 (-4.3A)
 1.13A 5vooF-4o1eA:
27.8		 5vooF-4o1eA:
28.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_F_C2FF3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		6 / 12 GLU A   7
ASN A  10
ASP A  44
LEU A 123
GLY A 196
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 ( 4.5A)
None
None
C2F  A3000 (-3.5A)
C2F  A3000 (-4.3A)
 0.60A 5vooF-4o1eA:
27.8		 5vooF-4o1eA:
28.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_F_C2FF3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		5 / 12 GLU A   7
ASN A  10
LEU A 163
GLY A 196
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 ( 4.5A)
None
C2F  A3000 (-3.5A)
C2F  A3000 (-4.3A)
 1.17A 5vooF-4o1eA:
27.8		 5vooF-4o1eA:
28.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_F_C2FF3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		12 / 12 GLU A 373
ASN A 376
GLY A 379
LYS A 381
ASP A 411
VAL A 490
LEU A 492
GLY A 570
SER A 572
PHE A 576
ARG A 583
ILE A 603
 C2F  A3001 (-3.7A)
NA  A3005 (-3.0A)
C2F  A3001 (-3.3A)
None
C2F  A3001 ( 3.8A)
C2F  A3001 ( 4.7A)
None
C2F  A3001 (-3.5A)
C2F  A3001 ( 4.5A)
C2F  A3001 (-4.7A)
C2F  A3001 (-3.0A)
C2F  A3001 (-3.5A)
 0.52A 5vooF-5vopA:
45.7		 5vooF-5vopA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VOO_F_C2FF3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		4 / 4 ASP A  76
ASN A  97
ASP A 161
ASN A 200
 C2F  A3000 (-3.4A)
C2F  A3000 (-3.0A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.1A)
 0.31A 5vooF-2ycjA:
29.8		 5vooF-2ycjA:
30.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_F_C2FF3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		4 / 4 ASP A  76
ASN A  97
ASP A 161
ASN A 199
 C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 4.3A)
 0.83A 5vooF-4o1eA:
27.8		 5vooF-4o1eA:
28.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_F_C2FF3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		4 / 4 ASP A 443
ASN A 464
ASP A 531
ASN A 573
 C2F  A3001 (-2.5A)
C2F  A3001 (-2.2A)
C2F  A3001 (-2.5A)
C2F  A3001 (-2.6A)
 0.09A 5vooF-5vopA:
45.7		 5vooF-5vopA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VOP_A_C2FA3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		6 / 12 ASN A  10
ASP A  76
VAL A 195
GLY A 197
ASN A 200
ARG A 208
 C2F  A3000 ( 4.8A)
C2F  A3000 (-3.4A)
None
C2F  A3000 (-3.6A)
C2F  A3000 (-3.1A)
C2F  A3000 ( 2.6A)
 1.35A 5vopA-2ycjA:
30.6		 5vopA-2ycjA:
30.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VOP_A_C2FA3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		7 / 12 ASN A  46
ASP A  44
LEU A 123
VAL A 195
GLY A 197
ASN A 200
ILE A 228
 None
C2F  A3000 ( 4.5A)
None
None
C2F  A3000 (-3.6A)
C2F  A3000 (-3.1A)
C2F  A3000 (-4.6A)
 1.09A 5vopA-2ycjA:
30.6		 5vopA-2ycjA:
30.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VOP_A_C2FA3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		10 / 12 GLU A   7
ASN A  10
ASP A  44
LEU A 123
VAL A 195
GLY A 197
SER A 199
ASN A 200
ARG A 208
ILE A 228
 C2F  A3000 ( 4.1A)
C2F  A3000 ( 4.8A)
C2F  A3000 ( 4.5A)
None
None
C2F  A3000 (-3.6A)
GOL  A1270 ( 3.9A)
C2F  A3000 (-3.1A)
C2F  A3000 ( 2.6A)
C2F  A3000 (-4.6A)
 0.36A 5vopA-2ycjA:
30.6		 5vopA-2ycjA:
30.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOP_A_C2FA3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		5 / 12 ASN A  10
LEU A 123
GLY A 196
ARG A 207
ILE A 227
 C2F  A3000 ( 4.5A)
None
C2F  A3000 (-3.5A)
None
C2F  A3000 (-4.3A)
 0.94A 5vopA-4o1eA:
28.2		 5vopA-4o1eA:
28.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOP_A_C2FA3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		6 / 12 GLU A   7
ASN A  10
ASP A  44
LEU A 123
GLY A 196
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 ( 4.5A)
None
None
C2F  A3000 (-3.5A)
C2F  A3000 (-4.3A)
 0.54A 5vopA-4o1eA:
28.2		 5vopA-4o1eA:
28.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOP_A_C2FA3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		5 / 12 GLU A   7
ASN A  10
LEU A 163
GLY A 196
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 ( 4.5A)
None
C2F  A3000 (-3.5A)
C2F  A3000 (-4.3A)
 0.95A 5vopA-4o1eA:
28.2		 5vopA-4o1eA:
28.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOP_A_C2FA3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		7 / 12 ASN A 376
GLY A 379
ASP A 443
VAL A 490
VAL A 568
GLY A 570
ASN A 573
 NA  A3005 (-3.0A)
C2F  A3001 (-3.3A)
C2F  A3001 (-2.5A)
C2F  A3001 ( 4.7A)
None
C2F  A3001 (-3.5A)
C2F  A3001 (-2.6A)
 1.35A 5vopA-5vopA:
50.8		 5vopA-5vopA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOP_A_C2FA3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		12 / 12 GLU A 373
ASN A 376
GLY A 379
ASP A 411
VAL A 490
LEU A 492
VAL A 568
GLY A 570
SER A 572
ASN A 573
ARG A 583
ILE A 603
 C2F  A3001 (-3.7A)
NA  A3005 (-3.0A)
C2F  A3001 (-3.3A)
C2F  A3001 ( 3.8A)
C2F  A3001 ( 4.7A)
None
None
C2F  A3001 (-3.5A)
C2F  A3001 ( 4.5A)
C2F  A3001 (-2.6A)
C2F  A3001 (-3.0A)
C2F  A3001 (-3.5A)
 0.00A 5vopA-5vopA:
50.8		 5vopA-5vopA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VOP_A_C2FA3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		3 / 3 ASP A  76
ASN A  97
ASP A 161
 C2F  A3000 (-3.4A)
C2F  A3000 (-3.0A)
C2F  A3000 (-3.5A)
 0.15A 5vopA-2ycjA:
30.6		 5vopA-2ycjA:
30.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOP_A_C2FA3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		3 / 3 ASP A  76
ASN A  97
ASP A 161
 C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 (-3.5A)
 0.26A 5vopA-4o1eA:
28.2		 5vopA-4o1eA:
28.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOP_A_C2FA3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		3 / 3 ASP A 443
ASN A 464
ASP A 531
 C2F  A3001 (-2.5A)
C2F  A3001 (-2.2A)
C2F  A3001 (-2.5A)
 0.03A 5vopA-5vopA:
50.8		 5vopA-5vopA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VOP_B_C2FB3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		6 / 12 ASN A  10
ASP A  76
LEU A 123
GLY A 197
ASN A 200
ARG A 208
 C2F  A3000 ( 4.8A)
C2F  A3000 (-3.4A)
None
C2F  A3000 (-3.6A)
C2F  A3000 (-3.1A)
C2F  A3000 ( 2.6A)
 1.41A 5vopB-2ycjA:
30.0		 5vopB-2ycjA:
30.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VOP_B_C2FB3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		7 / 12 ASN A  10
LYS A  14
ASP A  44
LEU A 123
GLY A 197
ARG A 208
ILE A 228
 C2F  A3000 ( 4.8A)
None
C2F  A3000 ( 4.5A)
None
C2F  A3000 (-3.6A)
C2F  A3000 ( 2.6A)
C2F  A3000 (-4.6A)
 0.82A 5vopB-2ycjA:
30.0		 5vopB-2ycjA:
30.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VOP_B_C2FB3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		6 / 12 ASN A  46
ASP A  44
LEU A 123
GLY A 197
ASN A 200
ILE A 228
 None
C2F  A3000 ( 4.5A)
None
C2F  A3000 (-3.6A)
C2F  A3000 (-3.1A)
C2F  A3000 (-4.6A)
 1.09A 5vopB-2ycjA:
30.0		 5vopB-2ycjA:
30.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VOP_B_C2FB3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		9 / 12 GLU A   7
ASN A  10
ASP A  44
LEU A 123
GLY A 197
SER A 199
ASN A 200
ARG A 208
ILE A 228
 C2F  A3000 ( 4.1A)
C2F  A3000 ( 4.8A)
C2F  A3000 ( 4.5A)
None
C2F  A3000 (-3.6A)
GOL  A1270 ( 3.9A)
C2F  A3000 (-3.1A)
C2F  A3000 ( 2.6A)
C2F  A3000 (-4.6A)
 0.50A 5vopB-2ycjA:
30.0		 5vopB-2ycjA:
30.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOP_B_C2FB3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		5 / 12 ASN A  10
LEU A 123
GLY A 196
ARG A 207
ILE A 227
 C2F  A3000 ( 4.5A)
None
C2F  A3000 (-3.5A)
None
C2F  A3000 (-4.3A)
 1.14A 5vopB-4o1eA:
27.9		 5vopB-4o1eA:
28.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOP_B_C2FB3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		6 / 12 GLU A   7
ASN A  10
ASP A  44
LEU A 123
GLY A 196
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 ( 4.5A)
None
None
C2F  A3000 (-3.5A)
C2F  A3000 (-4.3A)
 0.71A 5vopB-4o1eA:
27.9		 5vopB-4o1eA:
28.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOP_B_C2FB3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		5 / 12 GLU A   7
ASN A  10
LEU A 163
GLY A 196
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 ( 4.5A)
None
C2F  A3000 (-3.5A)
C2F  A3000 (-4.3A)
 1.17A 5vopB-4o1eA:
27.9		 5vopB-4o1eA:
28.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOP_B_C2FB3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		7 / 12 ASN A 376
GLY A 379
LYS A 381
ASP A 443
VAL A 490
GLY A 570
ASN A 573
 NA  A3005 (-3.0A)
C2F  A3001 (-3.3A)
None
C2F  A3001 (-2.5A)
C2F  A3001 ( 4.7A)
C2F  A3001 (-3.5A)
C2F  A3001 (-2.6A)
 1.45A 5vopB-5vopA:
46.9		 5vopB-5vopA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOP_B_C2FB3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		12 / 12 GLU A 373
ASN A 376
GLY A 379
LYS A 381
ASP A 411
VAL A 490
LEU A 492
GLY A 570
SER A 572
ASN A 573
ARG A 583
ILE A 603
 C2F  A3001 (-3.7A)
NA  A3005 (-3.0A)
C2F  A3001 (-3.3A)
None
C2F  A3001 ( 3.8A)
C2F  A3001 ( 4.7A)
None
C2F  A3001 (-3.5A)
C2F  A3001 ( 4.5A)
C2F  A3001 (-2.6A)
C2F  A3001 (-3.0A)
C2F  A3001 (-3.5A)
 0.48A 5vopB-5vopA:
46.9		 5vopB-5vopA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VOP_B_C2FB3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		3 / 3 ASP A  76
ASN A  97
ASP A 161
 C2F  A3000 (-3.4A)
C2F  A3000 (-3.0A)
C2F  A3000 (-3.5A)
 0.16A 5vopB-2ycjA:
30.0		 5vopB-2ycjA:
30.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOP_B_C2FB3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4o1e DIHYDROPTEROATE
SYNTHASE DHPS
(Desulfitobacteri
um
hafniense) 		3 / 3 ASP A  76
ASN A  97
ASP A 161
 C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 (-3.5A)
 0.27A 5vopB-4o1eA:
27.9		 5vopB-4o1eA:
28.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOP_B_C2FB3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE
(Thermus
thermophilus) 		3 / 3 ASP A 443
ASN A 464
ASP A 531
 C2F  A3001 (-2.5A)
C2F  A3001 (-2.2A)
C2F  A3001 (-2.5A)
 0.13A 5vopB-5vopA:
46.9		 5vopB-5vopA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		6 / 12 GLU A  58
ILE A  79
TRP A  80
ASP A 169
GLY A 173
TYR A 209
 None
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 ( 4.6A)
 0.61A 5x5qB-4fogA:
37.8		 5x5qB-4fogA:
50.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		4 / 7 ILE A  79
ASP A 169
GLY A 173
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 ( 4.6A)
 0.56A 5x5qC-4fogA:
36.6		 5x5qC-4fogA:
50.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		4 / 8 ILE A  79
ASP A 169
GLY A 173
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 ( 4.6A)
 0.49A 5x5qD-4fogA:
22.3		 5x5qD-4fogA:
50.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_E_D16E402_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		4 / 6 ILE A  79
ASP A 169
GLY A 173
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 ( 4.6A)
 0.50A 5x5qE-4fogA:
36.8		 5x5qE-4fogA:
50.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_F_D16F402_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		4 / 8 ILE A  79
ASP A 169
GLY A 173
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 ( 4.6A)
 0.51A 5x5qF-4fogA:
36.6		 5x5qF-4fogA:
50.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_A_MTXA402_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		6 / 12 ILE A  79
ASP A 169
GLY A 173
PHE A 176
ASN A 177
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
UFP  A 301 (-2.8A)
C2F  A 302 ( 4.6A)
 0.96A 5x66A-4fogA:
37.7
5x66B-4fogA:
37.9		 5x66A-4fogA:
50.52
5x66B-4fogA:
50.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_C_MTXC402_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		6 / 9 ILE A  79
ASP A 169
GLY A 173
PHE A 176
ASN A 177
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
UFP  A 301 (-2.8A)
C2F  A 302 ( 4.6A)
 0.93A 5x66C-4fogA:
37.9		 5x66C-4fogA:
50.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		6 / 10 ILE A  79
ASP A 169
GLY A 173
PHE A 176
ASN A 177
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
UFP  A 301 (-2.8A)
C2F  A 302 ( 4.6A)
 0.92A 5x66D-4fogA:
38.1		 5x66D-4fogA:
50.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_F_MTXF402_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 12 ILE A  79
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.87A 5x66F-4fogA:
38.2		 5x66F-4fogA:
50.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X66_F_MTXF402_1
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 12 LYS A  48
ILE A  79
ASP A 169
GLY A 173
TYR A 209
 C2F  A 302 ( 3.9A)
C2F  A 302 (-3.3A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 ( 4.6A)
 0.40A 5x66F-4fogA:
38.2		 5x66F-4fogA:
50.52
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.
5YCN_A_8LXA501_0
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 3ijd UNCHARACTERIZED
PROTEIN
(Ruminiclostridiu
m
thermocellum) 		5 / 12 LEU A   2
ILE A  91
GLY A 151
ILE A 213
LEU A 134
 None
None
None
None
C2F  A 314 ( 4.4A)
 0.91A 5ycnA-3ijdA:
undetectable		 5ycnA-3ijdA:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EMU_A_SAMA501_0
(TRNA
(GUANINE(9)-/ADENINE
(9)-N1)-METHYLTRANSF
ERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		5 / 12 ILE A  16
GLY A  11
ILE A  65
ASP A  44
ILE A   9
 None
None
None
C2F  A3000 ( 4.5A)
None
 0.90A 6emuA-2ycjA:
undetectable		 6emuA-2ycjA:
24.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EMU_B_SAMB301_0
(TRNA
(GUANINE(9)-/ADENINE
(9)-N1)-METHYLTRANSF
ERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		5 / 12 ILE A  16
GLY A  11
ILE A  65
ASP A  44
ILE A   9
 None
None
None
C2F  A3000 ( 4.5A)
None
 0.92A 6emuB-2ycjA:
3.5		 6emuB-2ycjA:
24.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EMU_C_SAMC301_0
(TRNA
(GUANINE(9)-/ADENINE
(9)-N1)-METHYLTRANSF
ERASE)		 2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE
(Carboxydothermus
hydrogenoformans) 		5 / 12 ILE A  16
GLY A  11
ILE A  65
ASP A  44
ILE A   9
 None
None
None
C2F  A3000 ( 4.5A)
None
 0.92A 6emuC-2ycjA:
undetectable		 6emuC-2ycjA:
24.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6QXS_B_FOZB403_0
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		8 / 12 ILE A  79
TRP A  80
TRP A  83
LEU A 143
GLY A 173
PHE A 176
ASN A 177
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-3.9A)
C2F  A 302 (-4.8A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
UFP  A 301 (-2.8A)
C2F  A 302 ( 4.6A)
 0.50A 6qxsB-4fogA:
38.1		 6qxsB-4fogA:
52.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6QXS_D_FOZD403_0
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		7 / 12 ILE A  79
TRP A  80
TRP A  83
LEU A 143
ASP A 169
GLY A 173
ASN A 177
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-3.9A)
C2F  A 302 (-4.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
UFP  A 301 (-2.8A)
 0.51A 6qxsD-4fogA:
38.0		 6qxsD-4fogA:
52.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6QYA_B_FOZB401_0
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		8 / 12 ILE A  79
TRP A  80
TRP A  83
LEU A 143
HIS A 147
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-3.9A)
C2F  A 302 (-4.8A)
UFP  A 301 (-4.0A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.50A 6qyaB-4fogA:
37.5		 6qyaB-4fogA:
52.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6QYA_D_FOZD401_0
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		8 / 12 ILE A  79
TRP A  80
LEU A 143
HIS A 147
GLY A 173
PHE A 176
ASN A 177
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-4.8A)
UFP  A 301 (-4.0A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
UFP  A 301 (-2.8A)
C2F  A 302 ( 4.6A)
 0.48A 6qyaD-4fogA:
37.6		 6qyaD-4fogA:
52.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_A_FFOA403_0
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		8 / 12 ILE A  79
TRP A  80
LEU A 143
ASP A 169
GLY A 173
PHE A 176
ASN A 177
TYR A 209
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-4.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
UFP  A 301 (-2.8A)
C2F  A 302 ( 4.6A)
 0.69A 6r2eA-4fogA:
37.8		 6r2eA-4fogA:
44.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_B_FFOB403_0
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		6 / 10 ILE A  79
TRP A  80
LEU A 143
ASP A 169
GLY A 173
ASN A 177
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-4.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
UFP  A 301 (-2.8A)
 0.63A 6r2eB-4fogA:
37.7		 6r2eB-4fogA:
44.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_C_FFOC404_0
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		6 / 10 ILE A  79
TRP A  80
LEU A 143
ASP A 169
GLY A 173
ASN A 177
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-4.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
UFP  A 301 (-2.8A)
 0.67A 6r2eC-4fogA:
37.8		 6r2eC-4fogA:
44.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_D_FFOD403_0
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		6 / 10 ILE A  79
TRP A  80
LEU A 143
ASP A 169
GLY A 173
ASN A 177
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-4.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
UFP  A 301 (-2.8A)
 0.60A 6r2eD-4fogA:
37.8		 6r2eD-4fogA:
44.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_E_FFOE403_0
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		7 / 12 ILE A  79
TRP A  80
TYR A  94
LEU A 143
GLY A 173
PHE A 176
ASN A 177
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
None
C2F  A 302 (-4.8A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
UFP  A 301 (-2.8A)
 0.51A 6r2eE-4fogA:
37.8		 6r2eE-4fogA:
44.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_F_FFOF403_0
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		6 / 11 ILE A  79
TRP A  80
LEU A 143
ASP A 169
GLY A 173
ASN A 177
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-4.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
UFP  A 301 (-2.8A)
 0.64A 6r2eF-4fogA:
37.8		 6r2eF-4fogA:
44.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_G_FFOG403_0
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		7 / 11 ILE A  79
TRP A  80
LEU A 143
ASP A 169
GLY A 173
PHE A 176
ASN A 177
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-4.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
UFP  A 301 (-2.8A)
 0.59A 6r2eG-4fogA:
37.8		 6r2eG-4fogA:
44.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_H_FFOH403_0
(THYMIDYLATE SYNTHASE)		 4fog THYMIDYLATE SYNTHASE
(Mycobacterium
tuberculosis) 		7 / 12 ILE A  79
TRP A  80
TYR A  94
LEU A 143
ASP A 169
GLY A 173
ASN A 177
 C2F  A 302 (-3.3A)
C2F  A 302 ( 3.8A)
None
C2F  A 302 (-4.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
UFP  A 301 (-2.8A)
 0.75A 6r2eH-4fogA:
37.8		 6r2eH-4fogA:
44.92