SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'XMP'


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.
1I9G_A_SAMA301_0
(HYPOTHETICAL PROTEIN
RV2118C)		 1pl0 BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH
(Homo
sapiens) 		5 / 12 GLY A  35
ALA A  40
LEU A  41
LEU A  54
VAL A  72
 XMP  A 901 ( 4.3A)
None
None
None
None
 1.16A 1i9gA-1pl0A:
2.4		 1i9gA-1pl0A:
20.14
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)		 1mew INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Tritrichomonas
suis) 		6 / 11 ASP A 261
SER A 262
SER A 263
ASN A 291
GLY A 314
GLY A 409
 NAD  A 987 (-2.5A)
NAD  A 987 (-2.7A)
NAD  A 987 (-3.1A)
XMP  A 602 ( 4.4A)
NAD  A 987 (-4.1A)
XMP  A 602 ( 3.1A)
 0.85A 1jr1A-1mewA:
47.3		 1jr1A-1mewA:
32.97
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)		 2cu0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Pyrococcus
horikoshii) 		5 / 11 ASP A 247
ASN A 275
GLY A 296
CYH A 301
GLY A 383
 None
XMP  A1001 ( 4.4A)
None
XMP  A1001 (-2.6A)
XMP  A1001 (-3.1A)
 1.17A 1jr1A-2cu0A:
51.0		 1jr1A-2cu0A:
33.59
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)		 2cu0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Pyrococcus
horikoshii) 		6 / 11 ASP A 247
ASN A 275
GLY A 296
CYH A 301
THR A 303
GLY A 385
 None
XMP  A1001 ( 4.4A)
None
XMP  A1001 (-2.6A)
XMP  A1001 (-3.7A)
XMP  A1001 (-3.1A)
 0.48A 1jr1A-2cu0A:
51.0		 1jr1A-2cu0A:
33.59
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)		 1mew INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Tritrichomonas
suis) 		5 / 8 ASP A 261
SER A 263
ASN A 291
GLY A 314
GLY A 409
 NAD  A 987 (-2.5A)
NAD  A 987 (-3.1A)
XMP  A 602 ( 4.4A)
NAD  A 987 (-4.1A)
XMP  A 602 ( 3.1A)
 0.53A 1jr1B-1mewA:
47.4		 1jr1B-1mewA:
32.97
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)		 2cu0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Pyrococcus
horikoshii) 		5 / 8 ASP A 247
ASN A 275
GLY A 296
THR A 303
GLY A 385
 None
XMP  A1001 ( 4.4A)
None
XMP  A1001 (-3.7A)
XMP  A1001 (-3.1A)
 0.43A 1jr1B-2cu0A:
51.0		 1jr1B-2cu0A:
33.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1L7F_A_BCZA801_1
(NEURAMINIDASE)		 2vxo GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG]
(Homo
sapiens) 		3 / 3 ARG A 337
ARG A 446
ARG A 524
 XMP  A1694 (-4.2A)
None
None
 0.88A 1l7fA-2vxoA:
undetectable		 1l7fA-2vxoA:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1L7H_A_BCZA801_1
(NEURAMINIDASE)		 2vxo GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG]
(Homo
sapiens) 		3 / 3 ARG A 337
ARG A 446
ARG A 524
 XMP  A1694 (-4.2A)
None
None
 0.89A 1l7hA-2vxoA:
undetectable		 1l7hA-2vxoA:
20.43
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)		 1mew INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Tritrichomonas
suis) 		4 / 8 ASP A 261
ASN A 291
GLY A 315
GLY A 407
 NAD  A 987 (-2.5A)
XMP  A 602 ( 4.4A)
None
XMP  A 602 (-3.3A)
 0.66A 1me7A-1mewA:
61.3		 1me7A-1mewA:
100.00
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)		 1mew INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Tritrichomonas
suis) 		7 / 8 ASP A 261
SER A 262
SER A 263
ASN A 291
ILE A 313
GLY A 314
GLY A 409
 NAD  A 987 (-2.5A)
NAD  A 987 (-2.7A)
NAD  A 987 (-3.1A)
XMP  A 602 ( 4.4A)
NAD  A 987 (-4.5A)
NAD  A 987 (-4.1A)
XMP  A 602 ( 3.1A)
 0.18A 1me7A-1mewA:
61.3		 1me7A-1mewA:
100.00
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)		 2cu0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Pyrococcus
horikoshii) 		6 / 8 ASP A 247
ASN A 275
ILE A 295
GLY A 296
CYH A 301
GLY A 385
 None
XMP  A1001 ( 4.4A)
None
None
XMP  A1001 (-2.6A)
XMP  A1001 (-3.1A)
 0.45A 1me7A-2cu0A:
48.0		 1me7A-2cu0A:
33.08
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)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		4 / 8 ASN A 280
GLY A 303
CYH A 308
GLY A 390
 XMP  A 500 ( 4.4A)
None
XMP  A 500 (-3.3A)
XMP  A 500 (-3.2A)
 0.75A 1me7A-3tsdA:
45.4		 1me7A-3tsdA:
34.81
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)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		4 / 8 ASN A 280
ILE A 302
GLY A 303
CYH A 308
 XMP  A 500 ( 4.4A)
None
None
XMP  A 500 (-3.3A)
 0.43A 1me7A-3tsdA:
45.4		 1me7A-3tsdA:
34.81
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)		 1mew INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Tritrichomonas
suis) 		6 / 10 ASP A 261
ASN A 291
GLY A 314
GLU A 408
GLY A 409
ARG A 414
 NAD  A 987 (-2.5A)
XMP  A 602 ( 4.4A)
NAD  A 987 (-4.1A)
NAD  A 987 ( 4.9A)
XMP  A 602 ( 3.1A)
None
 0.75A 1mehA-1mewA:
60.9		 1mehA-1mewA:
100.00
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)		 1mew INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Tritrichomonas
suis) 		5 / 10 ASP A 261
ASN A 291
GLY A 315
GLU A 408
GLY A 407
 NAD  A 987 (-2.5A)
XMP  A 602 ( 4.4A)
None
NAD  A 987 ( 4.9A)
XMP  A 602 (-3.3A)
 1.16A 1mehA-1mewA:
60.9		 1mehA-1mewA:
100.00
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)		 1mew INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Tritrichomonas
suis) 		5 / 10 ASP A 261
ASN A 291
GLY A 359
GLU A 408
GLY A 407
 NAD  A 987 (-2.5A)
XMP  A 602 ( 4.4A)
XMP  A 602 ( 3.8A)
NAD  A 987 ( 4.9A)
XMP  A 602 (-3.3A)
 1.29A 1mehA-1mewA:
60.9		 1mehA-1mewA:
100.00
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)		 1mew INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Tritrichomonas
suis) 		6 / 10 ASP A 261
ASN A 291
ILE A 313
GLU A 408
GLY A 409
GLU A 431
 NAD  A 987 (-2.5A)
XMP  A 602 ( 4.4A)
NAD  A 987 (-4.5A)
NAD  A 987 ( 4.9A)
XMP  A 602 ( 3.1A)
NAD  A 987 ( 3.5A)
 1.42A 1mehA-1mewA:
60.9		 1mehA-1mewA:
100.00
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)		 1mew INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Tritrichomonas
suis) 		6 / 10 ASP A 261
ASN A 291
ILE A 313
GLY A 314
GLU A 408
GLY A 407
 NAD  A 987 (-2.5A)
XMP  A 602 ( 4.4A)
NAD  A 987 (-4.5A)
NAD  A 987 (-4.1A)
NAD  A 987 ( 4.9A)
XMP  A 602 (-3.3A)
 1.35A 1mehA-1mewA:
60.9		 1mehA-1mewA:
100.00
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)		 1mew INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Tritrichomonas
suis) 		8 / 10 ASP A 261
SER A 262
SER A 263
ASN A 291
ILE A 313
GLY A 314
GLU A 408
GLY A 409
 NAD  A 987 (-2.5A)
NAD  A 987 (-2.7A)
NAD  A 987 (-3.1A)
XMP  A 602 ( 4.4A)
NAD  A 987 (-4.5A)
NAD  A 987 (-4.1A)
NAD  A 987 ( 4.9A)
XMP  A 602 ( 3.1A)
 0.32A 1mehA-1mewA:
60.9		 1mehA-1mewA:
100.00
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)		 1mew INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Tritrichomonas
suis) 		5 / 10 SER A 263
ASN A 291
GLY A 315
GLU A 408
GLY A 407
 NAD  A 987 (-3.1A)
XMP  A 602 ( 4.4A)
None
NAD  A 987 ( 4.9A)
XMP  A 602 (-3.3A)
 1.21A 1mehA-1mewA:
60.9		 1mehA-1mewA:
100.00
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)		 1mew INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Tritrichomonas
suis) 		5 / 10 SER A 263
ASN A 291
GLY A 359
GLU A 408
GLY A 407
 NAD  A 987 (-3.1A)
XMP  A 602 ( 4.4A)
XMP  A 602 ( 3.8A)
NAD  A 987 ( 4.9A)
XMP  A 602 (-3.3A)
 0.88A 1mehA-1mewA:
60.9		 1mehA-1mewA:
100.00
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)		 2cu0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Pyrococcus
horikoshii) 		5 / 10 ASP A 247
ASN A 275
ILE A 295
GLY A 296
GLU A 412
 None
XMP  A1001 ( 4.4A)
None
None
None
 1.13A 1mehA-2cu0A:
46.1		 1mehA-2cu0A:
33.08
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)		 2cu0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Pyrococcus
horikoshii) 		5 / 10 ASP A 247
ASN A 275
ILE A 295
GLY A 296
GLY A 385
 None
XMP  A1001 ( 4.4A)
None
None
XMP  A1001 (-3.1A)
 0.42A 1mehA-2cu0A:
46.1		 1mehA-2cu0A:
33.08
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)		 1mew INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Tritrichomonas
suis) 		4 / 8 ASP A 261
GLU A 408
GLY A 409
ARG A 414
 NAD  A 987 (-2.5A)
NAD  A 987 ( 4.9A)
XMP  A 602 ( 3.1A)
None
 0.87A 1meiA-1mewA:
61.9		 1meiA-1mewA:
100.00
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)		 1mew INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Tritrichomonas
suis) 		7 / 8 ASP A 261
SER A 262
SER A 263
ASN A 291
ILE A 313
GLU A 408
GLY A 409
 NAD  A 987 (-2.5A)
NAD  A 987 (-2.7A)
NAD  A 987 (-3.1A)
XMP  A 602 ( 4.4A)
NAD  A 987 (-4.5A)
NAD  A 987 ( 4.9A)
XMP  A 602 ( 3.1A)
 0.27A 1meiA-1mewA:
61.9		 1meiA-1mewA:
100.00
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)		 1mew INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Tritrichomonas
suis) 		4 / 8 SER A 263
ASN A 291
GLU A 408
GLY A 407
 NAD  A 987 (-3.1A)
XMP  A 602 ( 4.4A)
NAD  A 987 ( 4.9A)
XMP  A 602 (-3.3A)
 0.83A 1meiA-1mewA:
61.9		 1meiA-1mewA:
100.00
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)		 2cu0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Pyrococcus
horikoshii) 		4 / 8 ASP A 247
ASN A 275
ILE A 295
GLY A 385
 None
XMP  A1001 ( 4.4A)
None
XMP  A1001 (-3.1A)
 0.44A 1meiA-2cu0A:
47.5		 1meiA-2cu0A:
33.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PXX_A_DIFA701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 1pl0 BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH
(Homo
sapiens) 		5 / 10 VAL A  99
LEU A   8
LEU A  68
GLY A 127
LEU A 132
 None
None
XMP  A 901 (-4.1A)
XMP  A 901 (-3.4A)
None
 1.11A 1pxxA-1pl0A:
undetectable		 1pxxA-1pl0A:
22.84
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.
1PXX_C_DIFC2701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 1pl0 BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH
(Homo
sapiens) 		5 / 12 VAL A  99
LEU A   8
LEU A  68
GLY A 127
LEU A 132
 None
None
XMP  A 901 (-4.1A)
XMP  A 901 (-3.4A)
None
 1.10A 1pxxC-1pl0A:
undetectable		 1pxxC-1pl0A:
22.84
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.
1QZZ_A_ACTA421_0
(ACLACINOMYCIN-10-HYD
ROXYLASE)		 1mew INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Tritrichomonas
suis) 		5 / 8 TYR A 405
GLY A 359
GLY A 381
LEU A 380
SER A 317
 XMP  A 602 (-4.7A)
XMP  A 602 ( 3.8A)
XMP  A 602 (-3.6A)
XMP  A 602 (-4.9A)
XMP  A 602 (-3.0A)
 1.24A 1qzzA-1mewA:
undetectable		 1qzzA-1mewA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QZZ_A_ACTA421_0
(ACLACINOMYCIN-10-HYD
ROXYLASE)		 2cu0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Pyrococcus
horikoshii) 		5 / 8 TYR A 381
GLY A 335
GLY A 357
LEU A 356
SER A 299
 XMP  A1001 (-4.5A)
XMP  A1001 (-3.4A)
XMP  A1001 (-3.3A)
None
XMP  A1001 (-2.7A)
 1.23A 1qzzA-2cu0A:
undetectable		 1qzzA-2cu0A:
23.48
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.
1QZZ_A_ACTA421_0
(ACLACINOMYCIN-10-HYD
ROXYLASE)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		5 / 8 TYR A 388
GLY A 342
GLY A 364
LEU A 363
SER A 306
 XMP  A 500 (-4.8A)
XMP  A 500 (-3.3A)
XMP  A 500 (-3.5A)
None
XMP  A 500 (-2.7A)
 1.14A 1qzzA-3tsdA:
undetectable		 1qzzA-3tsdA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QZZ_A_ACTA421_0
(ACLACINOMYCIN-10-HYD
ROXYLASE)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		5 / 8 TYR A 388
GLY A 342
GLY A 364
LEU A 363
SER A 306
 XMP  A 500 (-4.8A)
XMP  A 500 (-3.3A)
XMP  A 500 (-3.5A)
None
XMP  A 500 (-2.7A)
 1.48A 1qzzA-3tsdA:
undetectable		 1qzzA-3tsdA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FQY_A_ADNA400_1
(MEMBRANE LIPOPROTEIN
TMPC)		 3uow GMP SYNTHETASE
(Plasmodium
falciparum) 		5 / 12 PHE A 433
GLY A 435
PHE A 286
GLY A 264
VAL A 300
 None
XMP  A 556 (-4.1A)
None
None
None
 1.33A 2fqyA-3uowA:
3.6		 2fqyA-3uowA:
19.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QMM_A_SAMA301_0
(UPF0217 PROTEIN
AF_1056)		 2cu0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Pyrococcus
horikoshii) 		5 / 9 LEU A 356
ILE A 337
GLY A 336
GLY A 298
SER A  52
 None
None
XMP  A1001 (-3.6A)
XMP  A1001 (-3.5A)
None
 0.95A 2qmmA-2cu0A:
undetectable		 2qmmA-2cu0A:
17.18
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.
2QMM_A_SAMA301_0
(UPF0217 PROTEIN
AF_1056)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		5 / 9 LEU A 363
ILE A 344
GLY A 343
GLY A 305
SER A  48
 None
None
XMP  A 500 (-3.8A)
XMP  A 500 (-3.5A)
None
 1.09A 2qmmA-3tsdA:
undetectable		 2qmmA-3tsdA:
18.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QMM_B_SAMB301_0
(UPF0217 PROTEIN
AF_1056)		 2cu0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Pyrococcus
horikoshii) 		5 / 11 LEU A 356
ILE A 337
GLY A 336
GLY A 298
SER A  52
 None
None
XMP  A1001 (-3.6A)
XMP  A1001 (-3.5A)
None
 0.95A 2qmmA-2cu0A:
undetectable
2qmmB-2cu0A:
undetectable		 2qmmA-2cu0A:
17.18
2qmmB-2cu0A:
17.18
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.
2RDD_A_AICA1110_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 1mew INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Tritrichomonas
suis) 		4 / 4 LYS A 403
ALA A 385
PHE A 384
GLY A 381
 None
None
None
XMP  A 602 (-3.6A)
 1.41A 2rddA-1mewA:
0.0		 2rddA-1mewA:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2RDD_A_AICA1110_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		4 / 4 LYS A 386
ALA A 368
PHE A 367
GLY A 364
 None
None
None
XMP  A 500 (-3.5A)
 1.39A 2rddA-3tsdA:
0.0		 2rddA-3tsdA:
19.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VMY_B_GLYB502_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 1pl0 BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH
(Homo
sapiens) 		4 / 8 TYR A 104
SER A  12
SER A  10
LYS A  14
 XMP  A 901 (-4.1A)
XMP  A 901 (-2.6A)
XMP  A 901 (-3.0A)
XMP  A 901 (-3.4A)
 1.34A 2vmyA-1pl0A:
undetectable
2vmyB-1pl0A:
undetectable		 2vmyA-1pl0A:
21.42
2vmyB-1pl0A:
21.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y05_A_RALA802_1
(PROSTAGLANDIN
REDUCTASE 1)		 1mew INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Tritrichomonas
suis) 		4 / 7 VAL A 338
ARG A 329
ASN A 291
GLY A 290
 None
None
XMP  A 602 ( 4.4A)
None
 0.94A 2y05A-1mewA:
undetectable
2y05B-1mewA:
undetectable		 2y05A-1mewA:
24.31
2y05B-1mewA:
24.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIA_B_SAMB206_0
(UPF0217 PROTEIN
MJ1640)		 1pl0 BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH
(Homo
sapiens) 		4 / 5 SER A  34
LEU A 103
GLY A 127
CYH A 101
 XMP  A 901 (-2.6A)
None
XMP  A 901 (-3.4A)
XMP  A 901 (-3.5A)
 1.18A 3aiaA-1pl0A:
undetectable
3aiaB-1pl0A:
undetectable		 3aiaA-1pl0A:
15.89
3aiaB-1pl0A:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CZH_A_D2VA602_1
(CYTOCHROME P450 2R1)		 2cu0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Pyrococcus
horikoshii) 		5 / 12 ASN A 275
VAL A  75
ALA A 224
VAL A  58
THR A  59
 XMP  A1001 ( 4.4A)
None
None
None
None
 1.10A 3czhA-2cu0A:
undetectable		 3czhA-2cu0A:
21.65
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.
3U7S_A_017A201_2
(POL POLYPROTEIN)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		5 / 9 ASP A 341
ASP A 251
GLY A 390
ILE A 307
LEU A 363
 XMP  A 500 (-2.8A)
None
XMP  A 500 (-3.2A)
XMP  A 500 (-4.6A)
None
 1.21A 3u7sB-3tsdA:
undetectable		 3u7sB-3tsdA:
11.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UQ6_B_ADNB401_1
(ADENOSINE KINASE,
PUTATIVE)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		5 / 12 ASP A 251
ILE A 339
GLY A  50
ALA A  49
VAL A 249
 None
None
None
XMP  A 500 (-3.5A)
None
 1.02A 3uq6B-3tsdA:
undetectable		 3uq6B-3tsdA:
24.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VKX_A_T3A301_1
(PROLIFERATING CELL
NUCLEAR ANTIGEN)		 2vxo GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG]
(Homo
sapiens) 		4 / 6 LEU A 443
PRO A 612
GLN A 610
PRO A 439
 None
None
XMP  A1694 (-3.0A)
XMP  A1694 (-4.1A)
 0.83A 3vkxA-2vxoA:
undetectable		 3vkxA-2vxoA:
18.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W68_A_VIVA301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 1pl0 BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH
(Homo
sapiens) 		5 / 12 TYR A 104
LEU A 132
VAL A  99
LEU A   8
VAL A  72
 XMP  A 901 (-4.1A)
None
None
None
None
 1.16A 3w68A-1pl0A:
1.1		 3w68A-1pl0A:
18.31
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.
3W9T_D_W9TD507_1
(HEMOLYTIC LECTIN
CEL-III)		 2cu0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Pyrococcus
horikoshii) 		4 / 5 ASP A 342
GLY A 336
TYR A 339
ASP A  18
 None
XMP  A1001 (-3.6A)
None
None
 1.19A 3w9tD-2cu0A:
undetectable		 3w9tD-2cu0A:
20.43
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)		 1mew INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Tritrichomonas
suis) 		5 / 8 ASP A 261
SER A 262
SER A 263
ASN A 291
GLY A 409
 NAD  A 987 (-2.5A)
NAD  A 987 (-2.7A)
NAD  A 987 (-3.1A)
XMP  A 602 ( 4.4A)
XMP  A 602 ( 3.1A)
 0.44A 4af0A-1mewA:
46.9		 4af0A-1mewA:
33.74
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)		 1mew INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Tritrichomonas
suis) 		5 / 10 ASP A 261
SER A 262
SER A 263
ASN A 291
GLY A 409
 NAD  A 987 (-2.5A)
NAD  A 987 (-2.7A)
NAD  A 987 (-3.1A)
XMP  A 602 ( 4.4A)
XMP  A 602 ( 3.1A)
 0.43A 4af0B-1mewA:
46.9		 4af0B-1mewA:
33.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E3A_A_ADNA500_2
(SUGAR KINASE PROTEIN)		 2cu0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Pyrococcus
horikoshii) 		4 / 4 SER A 299
TYR A 381
GLY A 335
PRO A 297
 XMP  A1001 (-2.7A)
XMP  A1001 (-4.5A)
XMP  A1001 (-3.4A)
None
 1.48A 4e3aA-2cu0A:
1.8		 4e3aA-2cu0A:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E3A_A_ADNA500_2
(SUGAR KINASE PROTEIN)		 2cu0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Pyrococcus
horikoshii) 		4 / 4 SER A 299
TYR A 381
GLY A 336
PRO A 297
 XMP  A1001 (-2.7A)
XMP  A1001 (-4.5A)
XMP  A1001 (-3.6A)
None
 1.31A 4e3aA-2cu0A:
1.8		 4e3aA-2cu0A:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E3A_A_ADNA500_2
(SUGAR KINASE PROTEIN)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		4 / 4 SER A 306
TYR A 388
GLY A 342
PRO A 304
 XMP  A 500 (-2.7A)
XMP  A 500 (-4.8A)
XMP  A 500 (-3.3A)
None
 1.43A 4e3aA-3tsdA:
2.9		 4e3aA-3tsdA:
23.97
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.
4E3A_A_ADNA500_2
(SUGAR KINASE PROTEIN)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		4 / 4 SER A 306
TYR A 388
GLY A 343
PRO A 304
 XMP  A 500 (-2.7A)
XMP  A 500 (-4.8A)
XMP  A 500 (-3.8A)
None
 1.29A 4e3aA-3tsdA:
2.9		 4e3aA-3tsdA:
23.97
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)		 1mew INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Tritrichomonas
suis) 		4 / 8 ASP A 261
SER A 262
SER A 263
GLY A 409
 NAD  A 987 (-2.5A)
NAD  A 987 (-2.7A)
NAD  A 987 (-3.1A)
XMP  A 602 ( 3.1A)
 0.89A 4fo4A-1mewA:
46.1		 4fo4A-1mewA:
31.24
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)		 1mew INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Tritrichomonas
suis) 		4 / 8 SER A 262
SER A 263
ASN A 291
GLY A 409
 NAD  A 987 (-2.7A)
NAD  A 987 (-3.1A)
XMP  A 602 ( 4.4A)
XMP  A 602 ( 3.1A)
 0.61A 4fo4A-1mewA:
46.1		 4fo4A-1mewA:
31.24
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)		 2cu0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Pyrococcus
horikoshii) 		6 / 8 ASP A 247
ASN A 275
CYH A 301
THR A 303
MET A 384
GLY A 385
 None
XMP  A1001 ( 4.4A)
XMP  A1001 (-2.6A)
XMP  A1001 (-3.7A)
None
XMP  A1001 (-3.1A)
 0.66A 4fo4A-2cu0A:
51.4		 4fo4A-2cu0A:
41.39
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)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		4 / 8 ASP A 251
ASN A 280
CYH A 308
THR A 310
 None
XMP  A 500 ( 4.4A)
XMP  A 500 (-3.3A)
XMP  A 500 (-4.5A)
 0.55A 4fo4A-3tsdA:
37.1		 4fo4A-3tsdA:
47.56
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)		 1mew INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Tritrichomonas
suis) 		5 / 8 SER A 262
SER A 263
ASN A 291
GLY A 314
GLY A 409
 NAD  A 987 (-2.7A)
NAD  A 987 (-3.1A)
XMP  A 602 ( 4.4A)
NAD  A 987 (-4.1A)
XMP  A 602 ( 3.1A)
 0.58A 4fo4B-1mewA:
45.5		 4fo4B-1mewA:
31.24
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)		 2cu0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Pyrococcus
horikoshii) 		6 / 8 ASN A 275
GLY A 296
CYH A 301
THR A 303
MET A 384
GLY A 385
 XMP  A1001 ( 4.4A)
None
XMP  A1001 (-2.6A)
XMP  A1001 (-3.7A)
None
XMP  A1001 (-3.1A)
 0.32A 4fo4B-2cu0A:
49.1		 4fo4B-2cu0A:
41.39
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)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		4 / 8 ASN A 280
GLY A 303
CYH A 308
THR A 310
 XMP  A 500 ( 4.4A)
None
XMP  A 500 (-3.3A)
XMP  A 500 (-4.5A)
 0.58A 4fo4B-3tsdA:
46.7		 4fo4B-3tsdA:
47.56
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)		 1mew INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Tritrichomonas
suis) 		6 / 9 SER A 262
SER A 263
ASN A 291
ILE A 313
GLY A 314
ASP A 358
 NAD  A 987 (-2.7A)
NAD  A 987 (-3.1A)
XMP  A 602 ( 4.4A)
NAD  A 987 (-4.5A)
NAD  A 987 (-4.1A)
XMP  A 602 (-2.7A)
 0.59A 4fxsA-1mewA:
48.5		 4fxsA-1mewA:
36.85
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)		 2cu0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Pyrococcus
horikoshii) 		6 / 9 ASN A 275
ILE A 295
GLY A 296
CYH A 301
THR A 303
ASP A 334
 XMP  A1001 ( 4.4A)
None
None
XMP  A1001 (-2.6A)
XMP  A1001 (-3.7A)
XMP  A1001 (-2.4A)
 0.31A 4fxsA-2cu0A:
54.0		 4fxsA-2cu0A:
47.50
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)		 2cu0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Pyrococcus
horikoshii) 		5 / 9 ASP A 247
ILE A 295
GLY A 296
CYH A 301
THR A 303
 None
None
None
XMP  A1001 (-2.6A)
XMP  A1001 (-3.7A)
 0.78A 4fxsA-2cu0A:
54.0		 4fxsA-2cu0A:
47.50
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)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		6 / 9 ASN A 280
ILE A 302
GLY A 303
CYH A 308
THR A 310
ASP A 341
 XMP  A 500 ( 4.4A)
None
None
XMP  A 500 (-3.3A)
XMP  A 500 (-4.5A)
XMP  A 500 (-2.8A)
 0.45A 4fxsA-3tsdA:
49.4		 4fxsA-3tsdA:
54.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		 1mew INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Tritrichomonas
suis) 		4 / 8 ASP A 264
ASP A 358
SER A 263
ALA A 334
 K  A 900 (-2.4A)
XMP  A 602 (-2.7A)
NAD  A 987 (-3.1A)
None
 0.91A 4m48A-1mewA:
undetectable		 4m48A-1mewA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M93_B_ACTB303_0
(S25-26 FAB (IGG1K)
HEAVY CHAIN
S25-26 FAB (IGG1K)
LIGHT CHAIN)		 2vxo GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG]
(Homo
sapiens) 		4 / 5 GLY A 383
SER A 382
ALA A 381
GLU A 334
 XMP  A1694 (-3.4A)
None
None
None
 1.04A 4m93B-2vxoA:
undetectable
4m93C-2vxoA:
undetectable		 4m93B-2vxoA:
16.08
4m93C-2vxoA:
15.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OTY_A_LURA705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 1pl0 BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH
(Homo
sapiens) 		5 / 12 VAL A  99
LEU A   8
LEU A  68
GLY A 127
LEU A 132
 None
None
XMP  A 901 (-4.1A)
XMP  A 901 (-3.4A)
None
 1.01A 4otyA-1pl0A:
undetectable		 4otyA-1pl0A:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OTY_B_LURB705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 1pl0 BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH
(Homo
sapiens) 		5 / 12 VAL A  99
LEU A   8
LEU A  68
GLY A 127
LEU A 132
 None
None
XMP  A 901 (-4.1A)
XMP  A 901 (-3.4A)
None
 1.02A 4otyB-1pl0A:
undetectable		 4otyB-1pl0A:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RRW_D_LURD705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 1pl0 BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH
(Homo
sapiens) 		5 / 12 VAL A  99
LEU A   8
LEU A  68
GLY A 127
LEU A 132
 None
None
XMP  A 901 (-4.1A)
XMP  A 901 (-3.4A)
None
 1.03A 4rrwD-1pl0A:
undetectable		 4rrwD-1pl0A:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RRZ_D_LURD705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 1pl0 BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH
(Homo
sapiens) 		5 / 12 VAL A  99
LEU A   8
LEU A  68
GLY A 127
LEU A 132
 None
None
XMP  A 901 (-4.1A)
XMP  A 901 (-3.4A)
None
 1.03A 4rrzD-1pl0A:
undetectable		 4rrzD-1pl0A:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HV1_A_RFPA902_1
(PHOSPHOENOLPYRUVATE
SYNTHASE)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		5 / 12 ALA A 295
VAL A 264
LEU A  40
ILE A  47
MET A 362
 None
None
None
None
XMP  A 500 ( 3.8A)
 1.06A 5hv1A-3tsdA:
2.0		 5hv1A-3tsdA:
22.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 1pl0 BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH
(Homo
sapiens) 		5 / 12 VAL A  99
LEU A   8
LEU A  68
GLY A 127
LEU A 132
 None
None
XMP  A 901 (-4.1A)
XMP  A 901 (-3.4A)
None
 1.01A 5ikqA-1pl0A:
undetectable		 5ikqA-1pl0A:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 1pl0 BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH
(Homo
sapiens) 		5 / 12 VAL A  99
LEU A   8
LEU A  68
GLY A 127
LEU A 132
 None
None
XMP  A 901 (-4.1A)
XMP  A 901 (-3.4A)
None
 0.98A 5ikqB-1pl0A:
undetectable		 5ikqB-1pl0A:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WWS_A_SAMA501_0
(PUTATIVE
METHYLTRANSFERASE
NSUN6)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		5 / 12 ALA A  49
GLY A 342
GLY A  68
LEU A  40
LEU A  42
 XMP  A 500 (-3.5A)
XMP  A 500 (-3.3A)
None
None
None
 1.13A 5wwsA-3tsdA:
undetectable		 5wwsA-3tsdA:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CLX_A_SAMA401_0
(O-METHYLTRANSFERASE)		 2cu0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Pyrococcus
horikoshii) 		5 / 12 ASP A 342
ALA A 351
GLY A 335
ARG A 338
VAL A 293
 None
None
XMP  A1001 (-3.4A)
None
None
 1.30A 6clxA-2cu0A:
undetectable		 6clxA-2cu0A:
23.63