SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'MOA'


List of Similar Pattern of Amino Acids

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

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JHA_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Cryptococcus
neoformans) 		4 / 8 GLY B 358
GLY B 340
ARG B 355
GLY B 338
 None
MOA  B1526 (-4.0A)
None
None
 0.77A 1jhaA-4af0B:
undetectable		 1jhaA-4af0B:
21.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JR1_A_MOAA1332_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2)		 4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Cryptococcus
neoformans) 		7 / 11 ASP B 288
ASN B 317
ARG B 336
MET B 339
GLY B 340
CYH B 345
GLY B 427
 MOA  B1526 (-3.3A)
MOA  B1526 ( 3.6A)
MOA  B1526 (-3.6A)
None
MOA  B1526 (-4.0A)
IMP  B1527 (-3.3A)
IMP  B1527 (-3.2A)
 1.19A 1jr1A-4af0B:
57.1		 1jr1A-4af0B:
56.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JR1_A_MOAA1332_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2)		 4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Cryptococcus
neoformans) 		10 / 11 ASP B 288
SER B 289
SER B 290
ASN B 317
ARG B 336
MET B 339
GLY B 340
CYH B 345
GLY B 429
GLN B 470
 MOA  B1526 (-3.3A)
MOA  B1526 (-3.9A)
MOA  B1526 (-2.6A)
MOA  B1526 ( 3.6A)
MOA  B1526 (-3.6A)
None
MOA  B1526 (-4.0A)
IMP  B1527 (-3.3A)
IMP  B1527 ( 3.3A)
MOA  B1526 ( 3.7A)
 0.62A 1jr1A-4af0B:
57.1		 1jr1A-4af0B:
56.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JR1_A_MOAA1332_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2)		 4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Cryptococcus
neoformans) 		6 / 11 SER B 290
ASN B 317
MET B 339
GLY B 340
GLY B 471
GLN B 470
 MOA  B1526 (-2.6A)
MOA  B1526 ( 3.6A)
None
MOA  B1526 (-4.0A)
IMP  B1527 (-3.1A)
MOA  B1526 ( 3.7A)
 1.17A 1jr1A-4af0B:
57.1		 1jr1A-4af0B:
56.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JR1_A_MOAA1332_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2)		 4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Cryptococcus
neoformans) 		5 / 11 SER B 290
SER B 289
GLY B 265
THR B 266
GLN B 297
 MOA  B1526 (-2.6A)
MOA  B1526 (-3.9A)
None
None
None
 1.33A 1jr1A-4af0B:
57.1		 1jr1A-4af0B:
56.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JR1_A_MOAA1332_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2)		 4fxs INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Vibrio
cholerae) 		5 / 11 ASP A 250
SER A 251
GLY A 302
CYH A 307
THR A 309
 MOA  A 702 (-3.2A)
MOA  A 702 (-3.7A)
MOA  A 702 ( 3.9A)
IMP  A 701 (-3.0A)
MOA  A 702 (-3.4A)
 1.12A 1jr1A-4fxsA:
53.2		 1jr1A-4fxsA:
38.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JR1_A_MOAA1332_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2)		 4fxs INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Vibrio
cholerae) 		5 / 11 ASP A 250
SER A 252
GLY A 302
CYH A 307
THR A 309
 MOA  A 702 (-3.2A)
MOA  A 702 (-2.8A)
MOA  A 702 ( 3.9A)
IMP  A 701 (-3.0A)
MOA  A 702 (-3.4A)
 0.93A 1jr1A-4fxsA:
53.2		 1jr1A-4fxsA:
38.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JR1_A_MOAA1332_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2)		 4fxs INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Vibrio
cholerae) 		6 / 11 SER A 251
ASN A 279
GLY A 302
CYH A 307
THR A 309
GLY A 391
 MOA  A 702 (-3.7A)
MOA  A 702 (-3.5A)
MOA  A 702 ( 3.9A)
IMP  A 701 (-3.0A)
MOA  A 702 (-3.4A)
IMP  A 701 (-3.2A)
 0.80A 1jr1A-4fxsA:
53.2		 1jr1A-4fxsA:
38.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JR1_A_MOAA1332_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2)		 4fxs INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Vibrio
cholerae) 		6 / 11 SER A 252
ASN A 279
GLY A 302
CYH A 307
THR A 309
GLY A 391
 MOA  A 702 (-2.8A)
MOA  A 702 (-3.5A)
MOA  A 702 ( 3.9A)
IMP  A 701 (-3.0A)
MOA  A 702 (-3.4A)
IMP  A 701 (-3.2A)
 0.64A 1jr1A-4fxsA:
53.2		 1jr1A-4fxsA:
38.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JR1_B_MOAB1333_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2)		 4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Cryptococcus
neoformans) 		5 / 8 ASP B 288
ASN B 317
ARG B 336
GLY B 340
GLY B 427
 MOA  B1526 (-3.3A)
MOA  B1526 ( 3.6A)
MOA  B1526 (-3.6A)
MOA  B1526 (-4.0A)
IMP  B1527 (-3.2A)
 1.06A 1jr1B-4af0B:
57.3		 1jr1B-4af0B:
56.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JR1_B_MOAB1333_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2)		 4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Cryptococcus
neoformans) 		5 / 8 ASP B 288
ASN B 317
ARG B 336
GLY B 342
GLY B 429
 MOA  B1526 (-3.3A)
MOA  B1526 ( 3.6A)
MOA  B1526 (-3.6A)
IMP  B1527 (-3.3A)
IMP  B1527 ( 3.3A)
 1.10A 1jr1B-4af0B:
57.3		 1jr1B-4af0B:
56.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JR1_B_MOAB1333_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2)		 4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Cryptococcus
neoformans) 		7 / 8 ASP B 288
SER B 290
ASN B 317
ARG B 336
GLY B 340
GLY B 429
GLN B 470
 MOA  B1526 (-3.3A)
MOA  B1526 (-2.6A)
MOA  B1526 ( 3.6A)
MOA  B1526 (-3.6A)
MOA  B1526 (-4.0A)
IMP  B1527 ( 3.3A)
MOA  B1526 ( 3.7A)
 0.27A 1jr1B-4af0B:
57.3		 1jr1B-4af0B:
56.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JR1_B_MOAB1333_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2)		 4fxs INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Vibrio
cholerae) 		4 / 8 ASN A 279
GLY A 302
THR A 309
GLY A 391
 MOA  A 702 (-3.5A)
MOA  A 702 ( 3.9A)
MOA  A 702 (-3.4A)
IMP  A 701 (-3.2A)
 0.39A 1jr1B-4fxsA:
53.3		 1jr1B-4fxsA:
38.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JR1_B_MOAB1333_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2)		 4fxs INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Vibrio
cholerae) 		4 / 8 SER A 252
ASN A 279
GLY A 302
GLY A 391
 MOA  A 702 (-2.8A)
MOA  A 702 (-3.5A)
MOA  A 702 ( 3.9A)
IMP  A 701 (-3.2A)
 0.63A 1jr1B-4fxsA:
53.3		 1jr1B-4fxsA:
38.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LIK_A_ADNA699_1
(ADENOSINE KINASE)		 1jr1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2
(Cricetulus
griseus) 		5 / 12 LEU A 337
GLY A 413
GLY A 415
CYH A 331
THR A 333
 None
IMP  A1331 (-3.5A)
IMP  A1331 ( 3.1A)
IMP  A1331 (-1.7A)
MOA  A1332 (-3.0A)
 1.11A 1likA-1jr1A:
undetectable		 1likA-1jr1A:
23.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ME7_A_MOAA600_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 1jr1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2
(Cricetulus
griseus) 		6 / 8 ASP A 274
SER A 275
ASN A 303
GLY A 326
CYH A 331
GLY A 415
 MOA  A1332 (-3.5A)
None
MOA  A1332 (-3.7A)
MOA  A1332 ( 3.5A)
IMP  A1331 (-1.7A)
IMP  A1331 ( 3.1A)
 0.79A 1me7A-1jr1A:
48.8		 1me7A-1jr1A:
32.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ME7_A_MOAA600_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 1jr1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2
(Cricetulus
griseus) 		6 / 8 ASP A 274
SER A 276
ASN A 303
GLY A 326
CYH A 331
GLY A 415
 MOA  A1332 (-3.5A)
MOA  A1332 (-2.6A)
MOA  A1332 (-3.7A)
MOA  A1332 ( 3.5A)
IMP  A1331 (-1.7A)
IMP  A1331 ( 3.1A)
 0.48A 1me7A-1jr1A:
48.8		 1me7A-1jr1A:
32.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ME7_A_MOAA600_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Cryptococcus
neoformans) 		7 / 8 ASP B 288
SER B 289
SER B 290
ASN B 317
GLY B 340
CYH B 345
GLY B 429
 MOA  B1526 (-3.3A)
MOA  B1526 (-3.9A)
MOA  B1526 (-2.6A)
MOA  B1526 ( 3.6A)
MOA  B1526 (-4.0A)
IMP  B1527 (-3.3A)
IMP  B1527 ( 3.3A)
 0.46A 1me7A-4af0B:
47.8		 1me7A-4af0B:
33.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ME7_A_MOAA600_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 4fxs INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Vibrio
cholerae) 		4 / 8 ASN A 279
ILE A 301
GLY A 302
GLY A 389
 MOA  A 702 (-3.5A)
MOA  A 702 (-4.1A)
MOA  A 702 ( 3.9A)
IMP  A 701 (-3.1A)
 0.78A 1me7A-4fxsA:
50.2		 1me7A-4fxsA:
36.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ME7_A_MOAA600_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 4fxs INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Vibrio
cholerae) 		4 / 8 ASP A 250
SER A 251
SER A 252
CYH A 307
 MOA  A 702 (-3.2A)
MOA  A 702 (-3.7A)
MOA  A 702 (-2.8A)
IMP  A 701 (-3.0A)
 0.67A 1me7A-4fxsA:
50.2		 1me7A-4fxsA:
36.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ME7_A_MOAA600_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 4fxs INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Vibrio
cholerae) 		7 / 8 SER A 251
SER A 252
ASN A 279
ILE A 301
GLY A 302
CYH A 307
GLY A 391
 MOA  A 702 (-3.7A)
MOA  A 702 (-2.8A)
MOA  A 702 (-3.5A)
MOA  A 702 (-4.1A)
MOA  A 702 ( 3.9A)
IMP  A 701 (-3.0A)
IMP  A 701 (-3.2A)
 0.52A 1me7A-4fxsA:
50.2		 1me7A-4fxsA:
36.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MEH_A_MOAA600_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 1jr1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2
(Cricetulus
griseus) 		6 / 10 ASP A 274
SER A 275
SER A 276
ASN A 303
GLY A 326
GLY A 415
 MOA  A1332 (-3.5A)
None
MOA  A1332 (-2.6A)
MOA  A1332 (-3.7A)
MOA  A1332 ( 3.5A)
IMP  A1331 ( 3.1A)
 0.75A 1mehA-1jr1A:
47.1		 1mehA-1jr1A:
32.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MEH_A_MOAA600_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Cryptococcus
neoformans) 		6 / 10 ASP B 288
SER B 289
SER B 290
ASN B 317
GLY B 340
GLY B 429
 MOA  B1526 (-3.3A)
MOA  B1526 (-3.9A)
MOA  B1526 (-2.6A)
MOA  B1526 ( 3.6A)
MOA  B1526 (-4.0A)
IMP  B1527 ( 3.3A)
 0.32A 1mehA-4af0B:
47.2		 1mehA-4af0B:
33.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MEH_A_MOAA600_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 4fxs INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Vibrio
cholerae) 		5 / 10 ASP A 250
SER A 251
SER A 252
ILE A 301
GLY A 302
 MOA  A 702 (-3.2A)
MOA  A 702 (-3.7A)
MOA  A 702 (-2.8A)
MOA  A 702 (-4.1A)
MOA  A 702 ( 3.9A)
 0.82A 1mehA-4fxsA:
48.3		 1mehA-4fxsA:
36.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MEH_A_MOAA600_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 4fxs INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Vibrio
cholerae) 		6 / 10 SER A 251
SER A 252
ASN A 279
ILE A 301
GLY A 302
GLY A 391
 MOA  A 702 (-3.7A)
MOA  A 702 (-2.8A)
MOA  A 702 (-3.5A)
MOA  A 702 (-4.1A)
MOA  A 702 ( 3.9A)
IMP  A 701 (-3.2A)
 0.47A 1mehA-4fxsA:
48.3		 1mehA-4fxsA:
36.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MEH_A_MOAA600_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 4fxs INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Vibrio
cholerae) 		5 / 10 SER A 252
ASN A 279
ILE A 301
GLY A 302
GLY A 418
 MOA  A 702 (-2.8A)
MOA  A 702 (-3.5A)
MOA  A 702 (-4.1A)
MOA  A 702 ( 3.9A)
IMP  A 701 (-3.3A)
 1.29A 1mehA-4fxsA:
48.3		 1mehA-4fxsA:
36.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MEI_A_MOAA600_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 1jr1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2
(Cricetulus
griseus) 		4 / 8 ASP A 274
SER A 275
ASN A 303
GLY A 415
 MOA  A1332 (-3.5A)
None
MOA  A1332 (-3.7A)
IMP  A1331 ( 3.1A)
 0.91A 1meiA-1jr1A:
48.3		 1meiA-1jr1A:
32.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MEI_A_MOAA600_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 1jr1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2
(Cricetulus
griseus) 		4 / 8 ASP A 274
SER A 276
ASN A 303
GLY A 415
 MOA  A1332 (-3.5A)
MOA  A1332 (-2.6A)
MOA  A1332 (-3.7A)
IMP  A1331 ( 3.1A)
 0.40A 1meiA-1jr1A:
48.3		 1meiA-1jr1A:
32.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MEI_A_MOAA600_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Cryptococcus
neoformans) 		5 / 8 ASP B 288
SER B 289
SER B 290
ASN B 317
GLY B 429
 MOA  B1526 (-3.3A)
MOA  B1526 (-3.9A)
MOA  B1526 (-2.6A)
MOA  B1526 ( 3.6A)
IMP  B1527 ( 3.3A)
 0.32A 1meiA-4af0B:
48.1		 1meiA-4af0B:
33.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MEI_A_MOAA600_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 4fxs INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Vibrio
cholerae) 		5 / 8 SER A 251
SER A 252
ASN A 279
ILE A 301
GLY A 391
 MOA  A 702 (-3.7A)
MOA  A 702 (-2.8A)
MOA  A 702 (-3.5A)
MOA  A 702 (-4.1A)
IMP  A 701 (-3.2A)
 0.47A 1meiA-4fxsA:
49.7		 1meiA-4fxsA:
36.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SG9_C_SAMC303_0
(HEMK PROTEIN)		 4fxs INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Vibrio
cholerae) 		5 / 12 ILE A 276
GLY A 254
ALA A 288
SER A 252
ALA A 228
 None
None
None
MOA  A 702 (-2.8A)
None
 1.06A 1sg9C-4fxsA:
undetectable		 1sg9C-4fxsA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XOQ_B_ROFB501_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Cryptococcus
neoformans) 		3 / 3 MET B 351
ASN B 317
GLN B 323
 MOA  B1526 ( 4.7A)
MOA  B1526 ( 3.6A)
None
 1.01A 1xoqB-4af0B:
undetectable		 1xoqB-4af0B:
23.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AXZ_A_ADNA401_1
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 1jr1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2
(Cricetulus
griseus) 		5 / 12 SER A 276
GLY A 326
GLY A 340
SER A 275
GLY A 324
 MOA  A1332 (-2.6A)
MOA  A1332 ( 3.5A)
None
None
None
 0.94A 3axzA-1jr1A:
0.0		 3axzA-1jr1A:
19.65
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.
3T3C_A_017A201_1
(HIV-1 PROTEASE)		 4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Cryptococcus
neoformans) 		4 / 7 GLY B 292
ASP B 288
VAL B 286
ILE B 337
 None
MOA  B1526 (-3.3A)
None
None
 0.61A 3t3cA-4af0B:
undetectable		 3t3cA-4af0B:
10.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4AF0_A_MOAA1526_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 1jr1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2
(Cricetulus
griseus) 		5 / 8 ASP A 274
ASN A 303
ARG A 322
MET A 325
GLY A 413
 MOA  A1332 (-3.5A)
MOA  A1332 (-3.7A)
MOA  A1332 (-3.6A)
None
IMP  A1331 (-3.5A)
 0.95A 4af0A-1jr1A:
57.1		 4af0A-1jr1A:
56.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4AF0_A_MOAA1526_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 1jr1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2
(Cricetulus
griseus) 		8 / 8 ASP A 274
SER A 275
SER A 276
ASN A 303
ARG A 322
MET A 325
GLY A 415
GLN A 441
 MOA  A1332 (-3.5A)
None
MOA  A1332 (-2.6A)
MOA  A1332 (-3.7A)
MOA  A1332 (-3.6A)
None
IMP  A1331 ( 3.1A)
MOA  A1332 ( 3.8A)
 0.52A 4af0A-1jr1A:
57.1		 4af0A-1jr1A:
56.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4AF0_A_MOAA1526_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 1jr1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2
(Cricetulus
griseus) 		5 / 8 SER A 276
ASN A 303
MET A 325
GLY A 442
GLN A 441
 MOA  A1332 (-2.6A)
MOA  A1332 (-3.7A)
None
IMP  A1331 (-3.0A)
MOA  A1332 ( 3.8A)
 1.09A 4af0A-1jr1A:
57.1		 4af0A-1jr1A:
56.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4AF0_A_MOAA1526_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 4fxs INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Vibrio
cholerae) 		4 / 8 SER A 251
SER A 252
ASN A 279
GLY A 391
 MOA  A 702 (-3.7A)
MOA  A 702 (-2.8A)
MOA  A 702 (-3.5A)
IMP  A 701 (-3.2A)
 0.50A 4af0A-4fxsA:
51.3		 4af0A-4fxsA:
37.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4AF0_B_MOAB1526_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 1jr1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2
(Cricetulus
griseus) 		6 / 10 ASP A 274
ASN A 303
ARG A 322
MET A 325
MET A 414
GLY A 413
 MOA  A1332 (-3.5A)
MOA  A1332 (-3.7A)
MOA  A1332 (-3.6A)
None
None
IMP  A1331 (-3.5A)
 1.37A 4af0B-1jr1A:
57.1		 4af0B-1jr1A:
56.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4AF0_B_MOAB1526_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 1jr1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2
(Cricetulus
griseus) 		9 / 10 ASP A 274
SER A 275
SER A 276
ASN A 303
ARG A 322
MET A 325
MET A 414
GLY A 415
GLN A 441
 MOA  A1332 (-3.5A)
None
MOA  A1332 (-2.6A)
MOA  A1332 (-3.7A)
MOA  A1332 (-3.6A)
None
None
IMP  A1331 ( 3.1A)
MOA  A1332 ( 3.8A)
 0.52A 4af0B-1jr1A:
57.1		 4af0B-1jr1A:
56.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4AF0_B_MOAB1526_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 1jr1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2
(Cricetulus
griseus) 		5 / 10 SER A 276
ASN A 303
ARG A 322
MET A 414
GLY A 413
 MOA  A1332 (-2.6A)
MOA  A1332 (-3.7A)
MOA  A1332 (-3.6A)
None
IMP  A1331 (-3.5A)
 1.36A 4af0B-1jr1A:
57.1		 4af0B-1jr1A:
56.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4AF0_B_MOAB1526_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 1jr1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2
(Cricetulus
griseus) 		5 / 10 SER A 276
ASN A 303
MET A 325
GLY A 442
GLN A 441
 MOA  A1332 (-2.6A)
MOA  A1332 (-3.7A)
None
IMP  A1331 (-3.0A)
MOA  A1332 ( 3.8A)
 1.10A 4af0B-1jr1A:
57.1		 4af0B-1jr1A:
56.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4AF0_B_MOAB1526_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 4fxs INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Vibrio
cholerae) 		5 / 10 SER A 251
SER A 252
ASN A 279
MET A 390
GLY A 391
 MOA  A 702 (-3.7A)
MOA  A 702 (-2.8A)
MOA  A 702 (-3.5A)
None
IMP  A 701 (-3.2A)
 0.54A 4af0B-4fxsA:
51.3		 4af0B-4fxsA:
37.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FO4_A_MOAA502_1
(INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE)		 1jr1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2
(Cricetulus
griseus) 		7 / 8 ASP A 274
SER A 275
SER A 276
ASN A 303
THR A 333
MET A 414
GLY A 415
 MOA  A1332 (-3.5A)
None
MOA  A1332 (-2.6A)
MOA  A1332 (-3.7A)
MOA  A1332 (-3.0A)
None
IMP  A1331 ( 3.1A)
 1.14A 4fo4A-1jr1A:
51.1		 4fo4A-1jr1A:
32.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FO4_A_MOAA502_1
(INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE)		 1jr1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2
(Cricetulus
griseus) 		7 / 8 SER A 275
SER A 276
ASN A 303
CYH A 331
THR A 333
MET A 414
GLY A 415
 None
MOA  A1332 (-2.6A)
MOA  A1332 (-3.7A)
IMP  A1331 (-1.7A)
MOA  A1332 (-3.0A)
None
IMP  A1331 ( 3.1A)
 0.81A 4fo4A-1jr1A:
51.1		 4fo4A-1jr1A:
32.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FO4_A_MOAA502_1
(INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE)		 4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Cryptococcus
neoformans) 		7 / 8 ASP B 288
SER B 289
SER B 290
ASN B 317
CYH B 345
MET B 428
GLY B 429
 MOA  B1526 (-3.3A)
MOA  B1526 (-3.9A)
MOA  B1526 (-2.6A)
MOA  B1526 ( 3.6A)
IMP  B1527 (-3.3A)
None
IMP  B1527 ( 3.3A)
 0.86A 4fo4A-4af0B:
48.2		 4fo4A-4af0B:
31.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FO4_A_MOAA502_1
(INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE)		 4fxs INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Vibrio
cholerae) 		6 / 8 ASP A 250
SER A 251
SER A 252
THR A 309
MET A 390
GLY A 391
 MOA  A 702 (-3.2A)
MOA  A 702 (-3.7A)
MOA  A 702 (-2.8A)
MOA  A 702 (-3.4A)
None
IMP  A 701 (-3.2A)
 0.86A 4fo4A-4fxsA:
59.8		 4fo4A-4fxsA:
74.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FO4_A_MOAA502_1
(INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE)		 4fxs INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Vibrio
cholerae) 		7 / 8 SER A 251
SER A 252
ASN A 279
CYH A 307
THR A 309
MET A 390
GLY A 391
 MOA  A 702 (-3.7A)
MOA  A 702 (-2.8A)
MOA  A 702 (-3.5A)
IMP  A 701 (-3.0A)
MOA  A 702 (-3.4A)
None
IMP  A 701 (-3.2A)
 0.16A 4fo4A-4fxsA:
59.8		 4fo4A-4fxsA:
74.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FO4_B_MOAB502_1
(INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE)		 1jr1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2
(Cricetulus
griseus) 		6 / 8 SER A 275
ASN A 303
GLY A 326
CYH A 331
THR A 333
GLY A 415
 None
MOA  A1332 (-3.7A)
MOA  A1332 ( 3.5A)
IMP  A1331 (-1.7A)
MOA  A1332 (-3.0A)
IMP  A1331 ( 3.1A)
 0.74A 4fo4B-1jr1A:
50.8		 4fo4B-1jr1A:
32.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FO4_B_MOAB502_1
(INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE)		 1jr1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2
(Cricetulus
griseus) 		6 / 8 SER A 275
ASN A 303
GLY A 326
THR A 333
MET A 414
GLY A 415
 None
MOA  A1332 (-3.7A)
MOA  A1332 ( 3.5A)
MOA  A1332 (-3.0A)
None
IMP  A1331 ( 3.1A)
 0.69A 4fo4B-1jr1A:
50.8		 4fo4B-1jr1A:
32.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FO4_B_MOAB502_1
(INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE)		 1jr1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2
(Cricetulus
griseus) 		6 / 8 SER A 276
ASN A 303
GLY A 326
CYH A 331
THR A 333
GLY A 415
 MOA  A1332 (-2.6A)
MOA  A1332 (-3.7A)
MOA  A1332 ( 3.5A)
IMP  A1331 (-1.7A)
MOA  A1332 (-3.0A)
IMP  A1331 ( 3.1A)
 0.53A 4fo4B-1jr1A:
50.8		 4fo4B-1jr1A:
32.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FO4_B_MOAB502_1
(INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE)		 1jr1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2
(Cricetulus
griseus) 		6 / 8 SER A 276
ASN A 303
GLY A 326
THR A 333
MET A 414
GLY A 415
 MOA  A1332 (-2.6A)
MOA  A1332 (-3.7A)
MOA  A1332 ( 3.5A)
MOA  A1332 (-3.0A)
None
IMP  A1331 ( 3.1A)
 0.46A 4fo4B-1jr1A:
50.8		 4fo4B-1jr1A:
32.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FO4_B_MOAB502_1
(INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE)		 4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Cryptococcus
neoformans) 		4 / 8 ASN B 317
GLY B 340
CYH B 345
GLY B 427
 MOA  B1526 ( 3.6A)
MOA  B1526 (-4.0A)
IMP  B1527 (-3.3A)
IMP  B1527 (-3.2A)
 0.82A 4fo4B-4af0B:
48.1		 4fo4B-4af0B:
31.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FO4_B_MOAB502_1
(INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE)		 4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Cryptococcus
neoformans) 		7 / 8 SER B 289
SER B 290
ASN B 317
GLY B 340
CYH B 345
MET B 428
GLY B 429
 MOA  B1526 (-3.9A)
MOA  B1526 (-2.6A)
MOA  B1526 ( 3.6A)
MOA  B1526 (-4.0A)
IMP  B1527 (-3.3A)
None
IMP  B1527 ( 3.3A)
 0.37A 4fo4B-4af0B:
48.1		 4fo4B-4af0B:
31.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FO4_B_MOAB502_1
(INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE)		 4fxs INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Vibrio
cholerae) 		4 / 8 ASN A 279
GLY A 341
MET A 390
GLY A 389
 MOA  A 702 (-3.5A)
IMP  A 701 (-3.5A)
None
IMP  A 701 (-3.1A)
 0.88A 4fo4B-4fxsA:
59.5		 4fo4B-4fxsA:
74.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FO4_B_MOAB502_1
(INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE)		 4fxs INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Vibrio
cholerae) 		8 / 8 SER A 251
SER A 252
ASN A 279
GLY A 302
CYH A 307
THR A 309
MET A 390
GLY A 391
 MOA  A 702 (-3.7A)
MOA  A 702 (-2.8A)
MOA  A 702 (-3.5A)
MOA  A 702 ( 3.9A)
IMP  A 701 (-3.0A)
MOA  A 702 (-3.4A)
None
IMP  A 701 (-3.2A)
 0.23A 4fo4B-4fxsA:
59.5		 4fo4B-4fxsA:
74.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FXS_A_MOAA702_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 1jr1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2
(Cricetulus
griseus) 		5 / 9 ASP A 274
SER A 275
GLY A 326
CYH A 331
THR A 333
 MOA  A1332 (-3.5A)
None
MOA  A1332 ( 3.5A)
IMP  A1331 (-1.7A)
MOA  A1332 (-3.0A)
 1.12A 4fxsA-1jr1A:
53.2		 4fxsA-1jr1A:
38.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FXS_A_MOAA702_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 1jr1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2
(Cricetulus
griseus) 		5 / 9 ASP A 274
SER A 276
GLY A 326
CYH A 331
THR A 333
 MOA  A1332 (-3.5A)
MOA  A1332 (-2.6A)
MOA  A1332 ( 3.5A)
IMP  A1331 (-1.7A)
MOA  A1332 (-3.0A)
 0.93A 4fxsA-1jr1A:
53.2		 4fxsA-1jr1A:
38.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FXS_A_MOAA702_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 1jr1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2
(Cricetulus
griseus) 		6 / 9 SER A 275
ASN A 303
GLY A 326
CYH A 331
THR A 333
ASP A 364
 None
MOA  A1332 (-3.7A)
MOA  A1332 ( 3.5A)
IMP  A1331 (-1.7A)
MOA  A1332 (-3.0A)
IMP  A1331 (-2.8A)
 0.76A 4fxsA-1jr1A:
53.2		 4fxsA-1jr1A:
38.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FXS_A_MOAA702_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 1jr1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2
(Cricetulus
griseus) 		6 / 9 SER A 276
ASN A 303
GLY A 326
CYH A 331
THR A 333
ASP A 364
 MOA  A1332 (-2.6A)
MOA  A1332 (-3.7A)
MOA  A1332 ( 3.5A)
IMP  A1331 (-1.7A)
MOA  A1332 (-3.0A)
IMP  A1331 (-2.8A)
 0.63A 4fxsA-1jr1A:
53.2		 4fxsA-1jr1A:
38.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FXS_A_MOAA702_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Cryptococcus
neoformans) 		5 / 9 ASP B 288
SER B 289
SER B 290
GLY B 340
CYH B 345
 MOA  B1526 (-3.3A)
MOA  B1526 (-3.9A)
MOA  B1526 (-2.6A)
MOA  B1526 (-4.0A)
IMP  B1527 (-3.3A)
 0.85A 4fxsA-4af0B:
51.3		 4fxsA-4af0B:
37.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FXS_A_MOAA702_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Cryptococcus
neoformans) 		6 / 9 SER B 289
SER B 290
ASN B 317
GLY B 340
CYH B 345
ASP B 378
 MOA  B1526 (-3.9A)
MOA  B1526 (-2.6A)
MOA  B1526 ( 3.6A)
MOA  B1526 (-4.0A)
IMP  B1527 (-3.3A)
IMP  B1527 (-2.5A)
 0.47A 4fxsA-4af0B:
51.3		 4fxsA-4af0B:
37.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YVG_A_SAMA301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 1jr1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2
(Cricetulus
griseus) 		5 / 12 SER A 276
GLY A 326
GLY A 340
SER A 275
GLY A 324
 MOA  A1332 (-2.6A)
MOA  A1332 ( 3.5A)
None
None
None
 0.99A 4yvgA-1jr1A:
undetectable		 4yvgA-1jr1A:
19.65
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.
5LG3_E_Z80E401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 4fxs INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Vibrio
cholerae) 		5 / 12 ILE A  69
VAL A  47
ASP A 250
ILE A 338
ALA A 296
 None
None
MOA  A 702 (-3.2A)
None
None
 1.11A 5lg3E-4fxsA:
undetectable		 5lg3E-4fxsA:
18.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BXL_B_SAMB401_0
(2-(3-AMINO-3-CARBOXY
PROPYL)HISTIDINE
SYNTHASE)		 1jr1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2
(Cricetulus
griseus) 		5 / 12 LEU A 273
VAL A 350
ARG A 322
VAL A 323
ASP A 364
 None
None
MOA  A1332 (-3.6A)
None
IMP  A1331 (-2.8A)
 1.39A 6bxlB-1jr1A:
undetectable		 6bxlB-1jr1A:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BXN_A_SAMA901_0
(DIPHTHAMIDE
BIOSYNTHESIS ENZYME
DPH2)		 4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Cryptococcus
neoformans) 		5 / 12 LEU B 287
VAL B 364
ARG B 336
ILE B 337
ASP B 378
 None
None
MOA  B1526 (-3.6A)
None
IMP  B1527 (-2.5A)
 1.41A 6bxnA-4af0B:
undetectable		 6bxnA-4af0B:
20.00