SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3tsd'

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.
1A52_A_ESTA1_1
(ESTROGEN RECEPTOR)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		5 / 10 ALA A 356
LEU A 321
LEU A  11
ILE A 461
LEU A  18
 None
 1.33A 1a52A-3tsdA:
undetectable		 1a52A-3tsdA:
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.
1A52_B_ESTB2_1
(ESTROGEN RECEPTOR)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		5 / 10 ALA A 356
LEU A 321
LEU A  11
ILE A 461
LEU A  18
 None
 1.35A 1a52B-3tsdA:
undetectable		 1a52B-3tsdA:
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.
1AKD_A_CAMA420_0
(CYTOCHROME P450CAM)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		5 / 11 LEU A 290
GLY A 279
THR A 252
ASP A 262
VAL A 229
 None
 1.25A 1akdA-3tsdA:
undetectable		 1akdA-3tsdA:
24.22
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.
1ERE_D_ESTD600_1
(ESTROGEN RECEPTOR)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		5 / 9 ALA A 356
LEU A 321
LEU A  11
ILE A 461
LEU A  18
 None
 1.40A 1ereD-3tsdA:
undetectable		 1ereD-3tsdA:
20.59
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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PHG_A_MYTA422_1
(CYTOCHROME P450-CAM)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		5 / 11 LEU A 290
GLY A 279
THR A 252
ASP A 262
VAL A 229
 None
 1.18A 1phgA-3tsdA:
undetectable		 1phgA-3tsdA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q13_A_TESA501_1
(PROSTAGLANDIN-E2
9-REDUCTASE)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		4 / 6 TYR A 118
HIS A 113
PRO A  99
VAL A 123
 None
 1.41A 1q13A-3tsdA:
10.5		 1q13A-3tsdA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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.
1R55_A_097A518_1
(ADAM 33)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		5 / 10 ALA A 278
VAL A 298
HIS A 334
ALA A 289
THR A 287
 None
 1.24A 1r55A-3tsdA:
undetectable		 1r55A-3tsdA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2D55_C_DVAC2_0
(ACTINOMYCIN D)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		3 / 3 THR A 164
PRO A 166
PRO A 187
 None
 0.84A 2d55C-3tsdA:
undetectable		 2d55C-3tsdA:
4.90
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.
2NMZ_B_ROCB401_2
(PROTEASE)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		3 / 3 ARG A 440
VAL A 360
THR A  34
 None
 0.30A 2nmzA-3tsdA:
undetectable		 2nmzA-3tsdA:
13.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNK_A_ROCA401_2
(PROTEASE)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		3 / 3 ARG A 440
VAL A 360
THR A  34
 None
 0.34A 2nnkA-3tsdA:
undetectable		 2nnkA-3tsdA:
13.09
Potential target for repurposing, i.e. matched protein structure has less than 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.
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.
3JZ0_B_CLYB900_1
(LINCOSAMIDE
NUCLEOTIDYLTRANSFERA
SE)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		4 / 8 GLU A 205
GLU A 209
SER A  93
ILE A 199
 None
 0.99A 3jz0B-3tsdA:
undetectable		 3jz0B-3tsdA:
20.97
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.
3K4V_B_ROCB201_2
(HIV-1 PROTEASE)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		3 / 3 ARG A 440
VAL A 360
THR A  34
 None
 0.43A 3k4vA-3tsdA:
undetectable		 3k4vA-3tsdA:
11.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K4V_D_ROCD201_4
(HIV-1 PROTEASE)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		3 / 3 ARG A 440
VAL A 360
THR A  34
 None
 0.50A 3k4vD-3tsdA:
undetectable		 3k4vD-3tsdA:
13.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KPB_A_SAMA1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		5 / 12 ILE A 137
THR A 139
ASP A 142
ILE A 183
PRO A 187
 None
 0.91A 3kpbA-3tsdA:
14.1		 3kpbA-3tsdA:
16.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KPB_A_SAMA1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		5 / 12 ILE A 137
THR A 139
ASP A 142
ILE A 183
PRO A 187
 None
 1.19A 3kpbA-3tsdA:
14.1		 3kpbA-3tsdA:
16.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KPB_C_SAMC1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		5 / 12 ILE A 137
THR A 139
ASP A 142
ILE A 183
PRO A 187
 None
 0.86A 3kpbC-3tsdA:
14.3		 3kpbC-3tsdA:
16.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KPB_C_SAMC1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		5 / 12 ILE A 137
THR A 139
ASP A 142
ILE A 183
PRO A 187
 None
 1.15A 3kpbC-3tsdA:
14.3		 3kpbC-3tsdA:
16.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KPC_A_SAMA1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		6 / 11 ILE A 137
THR A 139
ASP A 142
ILE A 163
ILE A 183
PRO A 187
 None
 0.97A 3kpcA-3tsdA:
14.7		 3kpcA-3tsdA:
16.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KPD_B_SAMB1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		5 / 12 ILE A 137
THR A 139
ASP A 142
ILE A 183
PRO A 187
 None
 0.87A 3kpdB-3tsdA:
14.6		 3kpdB-3tsdA:
16.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KPD_B_SAMB1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		5 / 12 THR A 139
ASP A 142
ILE A 163
ILE A 183
PRO A 187
 None
 0.82A 3kpdB-3tsdA:
14.6		 3kpdB-3tsdA:
16.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KPD_C_SAMC1000_1
(UNCHARACTERIZED
PROTEIN MJ0100)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		5 / 12 ILE A 137
THR A 139
ASP A 142
ILE A 183
PRO A 187
 None
 0.94A 3kpdC-3tsdA:
14.4		 3kpdC-3tsdA:
16.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KPD_C_SAMC1000_1
(UNCHARACTERIZED
PROTEIN MJ0100)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		5 / 12 THR A 139
ASP A 142
ILE A 163
ILE A 183
PRO A 187
 None
 0.93A 3kpdC-3tsdA:
14.4		 3kpdC-3tsdA:
16.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KPD_C_SAMC1000_1
(UNCHARACTERIZED
PROTEIN MJ0100)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		5 / 12 THR A 200
ASP A 203
SER A 121
VAL A 123
PRO A 124
 None
 0.57A 3kpdC-3tsdA:
14.4		 3kpdC-3tsdA:
16.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDT_A_ROCA101_2
(PROTEASE)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		3 / 3 ARG A 440
VAL A 360
THR A  34
 None
 0.61A 3ndtA-3tsdA:
undetectable		 3ndtA-3tsdA:
11.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDU_D_ROCD100_3
(PROTEASE)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		3 / 3 ARG A 440
VAL A 360
THR A  34
 None
 0.54A 3nduD-3tsdA:
undetectable		 3nduD-3tsdA:
11.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PWR_A_ROCA401_2
(PROTEASE)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		3 / 3 ARG A 440
VAL A 360
THR A  34
 None
 0.36A 3pwrA-3tsdA:
undetectable		 3pwrA-3tsdA:
13.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TEG_A_DAHA416_1
(PHENYLALANYL-TRNA
SYNTHETASE,
MITOCHONDRIAL)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		5 / 12 GLN A  81
GLY A  70
GLY A  50
ALA A 226
GLY A 224
 None
 1.18A 3tegA-3tsdA:
undetectable		 3tegA-3tsdA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TL9_A_ROCA401_2
(PROTEASE)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		3 / 3 ARG A 440
VAL A 360
THR A  34
 None
 0.43A 3tl9A-3tsdA:
undetectable		 3tl9A-3tsdA:
12.10
Potential target for repurposing, i.e. matched protein structure has less than 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.
3ZOS_B_0LIB1000_2
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		5 / 9 LEU A 454
LEU A  69
ILE A  47
MET A 350
ILE A 339
 None
 1.20A 3zosB-3tsdA:
undetectable		 3zosB-3tsdA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E1G_B_LNLB701_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		4 / 7 VAL A 432
VAL A 436
LEU A 439
VAL A  30
 None
 0.90A 4e1gB-3tsdA:
undetectable		 4e1gB-3tsdA:
22.60
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.
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)		 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)		 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)		 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.
4MWZ_B_SAMB301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		5 / 12 VAL A 297
GLY A 224
GLY A  70
ILE A 277
ILE A 248
 None
 1.01A 4mwzB-3tsdA:
undetectable		 4mwzB-3tsdA:
18.66
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.
4OBW_B_SAMB601_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		5 / 12 ALA A 295
GLY A 294
ILE A 277
ASN A 275
GLY A 279
 None
 1.03A 4obwB-3tsdA:
undetectable		 4obwB-3tsdA:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OBW_D_SAMD601_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		5 / 12 ALA A 295
GLY A 294
ILE A 277
ASN A 275
GLY A 279
 None
 1.05A 4obwD-3tsdA:
undetectable		 4obwD-3tsdA:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q5M_A_ROCA1101_2
(PROTEASE)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		5 / 12 ALA A 247
GLY A  70
ILE A 277
GLY A  50
VAL A  85
 None
 1.02A 4q5mA-3tsdA:
undetectable		 4q5mA-3tsdA:
17.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		5 / 9 LEU A  46
GLY A  67
ASN A 212
VAL A 432
VAL A 436
 None
 1.13A 4qd3A-3tsdA:
undetectable		 4qd3A-3tsdA:
16.80
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.
4RN6_B_15UB301_1
(THROMBIN HEAVY CHAIN)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		5 / 12 LEU A 363
LEU A 321
ALA A 323
ALA A 353
GLY A 301
 None
 0.98A 4rn6B-3tsdA:
undetectable		 4rn6B-3tsdA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZBR_A_NPSA603_1
(SERUM ALBUMIN)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		5 / 10 ALA A 225
ASP A 251
LEU A 250
LEU A 240
ALA A 239
 None
 1.20A 4zbrA-3tsdA:
undetectable		 4zbrA-3tsdA:
22.80
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.
5C0O_G_SAMG301_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		5 / 12 ALA A  60
GLY A  70
GLY A  68
LEU A  46
ALA A 226
 None
 0.94A 5c0oG-3tsdA:
undetectable		 5c0oG-3tsdA:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5G5G_A_ACTA1231_0
(PUTATIVE XANTHINE
DEHYDROGENASE YAGR
MOLYBDENUM-BINDING
SU SUBUNIT
PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		3 / 3 ARG A 389
THR A  53
ASP A  52
 None
 0.81A 5g5gA-3tsdA:
undetectable
5g5gB-3tsdA:
undetectable		 5g5gA-3tsdA:
18.24
5g5gB-3tsdA:
21.33
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.
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.
5OY0_2_PQN2843_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		5 / 12 ILE A 302
ILE A 276
ALA A 295
LEU A 290
ALA A 289
 None
 1.17A 5oy02-3tsdA:
undetectable		 5oy02-3tsdA:
11.48
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.
5TUD_A_ERMA2001_1
(5-HYDROXYTRYPTAMINE
RECEPTOR 2B,SOLUBLE
CYTOCHROME B562
CHIMERA)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		5 / 12 VAL A 241
VAL A 249
LEU A  36
LEU A  69
VAL A 223
 None
 1.13A 5tudA-3tsdA:
undetectable		 5tudA-3tsdA:
21.89
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.
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.
5XIQ_A_HFGA1002_0
(PROLYL-TRNA
SYNTHETASE (PRORS))		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		5 / 12 LEU A 439
PRO A  45
PHE A 367
THR A  55
GLY A  70
 None
 1.34A 5xiqA-3tsdA:
undetectable		 5xiqA-3tsdA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIQ_D_HFGD1002_0
(PROLYL-TRNA
SYNTHETASE (PRORS))		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		5 / 12 LEU A 439
PRO A  45
PHE A 367
THR A  55
GLY A  70
 None
 1.31A 5xiqD-3tsdA:
undetectable		 5xiqD-3tsdA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZJI_B_PQNB842_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE
(Bacillus
anthracis) 		5 / 10 ILE A 302
ILE A 276
ALA A 295
LEU A 290
ALA A 289
 None
 1.15A 5zjiB-3tsdA:
undetectable		 5zjiB-3tsdA:
10.34