SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '245'


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.
11GS_A_EAAA211_1
(GLUTATHIONE
S-TRANSFERASE)		 4uqm URACIL-DNA
GLYCOSYLASE
(Deinococcus
radiodurans) 		5 / 7 TYR A  85
VAL A  98
ILE A 111
TYR A 112
GLY A 128
 CL  A1245 (-4.3A)
None
None
None
None
 1.08A 11gsA-4uqmA:
undetectable		 11gsA-4uqmA:
23.88
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.
13GS_A_SASA211_1
(GLUTATHIONE
S-TRANSFERASE)		 4uqm URACIL-DNA
GLYCOSYLASE
(Deinococcus
radiodurans) 		5 / 10 TYR A  85
VAL A  98
ILE A 111
TYR A 112
GLY A 128
 CL  A1245 (-4.3A)
None
None
None
None
 1.13A 13gsA-4uqmA:
undetectable		 13gsA-4uqmA:
23.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1AQ7_B_AG2B4_1
(TRYPSIN
AERUGINOSIN 98-B)		 1a5i PLASMINOGEN
ACTIVATOR
(Desmodus
rotundus) 		6 / 8 HIS A  57
ASP A 189
GLN A 192
SER A 195
GLY A 216
GLY A 226
 0GJ  A 245 (-2.7A)
0GJ  A 245 (-3.1A)
0GJ  A 245 (-3.5A)
0GJ  A 245 (-1.4A)
0GJ  A 245 (-3.5A)
0GJ  A 245 ( 4.2A)
 0.70A 1aq7A-1a5iA:
31.5		 1aq7A-1a5iA:
37.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1AQ7_B_AG2B4_1
(TRYPSIN
AERUGINOSIN 98-B)		 2oq5 TRANSMEMBRANE
PROTEASE, SERINE 11E
(Homo
sapiens) 		7 / 8 HIS A  57
ASP A 189
GLN A 192
SER A 195
VAL A 213
GLY A 216
GLY A 226
 None
BEN  A 245 (-3.0A)
BEN  A 245 (-4.4A)
BEN  A 245 (-3.3A)
None
BEN  A 245 ( 3.8A)
BEN  A 245 (-3.4A)
 0.64A 1aq7A-2oq5A:
34.9		 1aq7A-2oq5A:
37.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1BCU_H_PRLH280_0
(ALPHA-THROMBIN)		 1a5i PLASMINOGEN
ACTIVATOR
(Desmodus
rotundus) 		6 / 9 ASP A 189
ALA A 190
SER A 195
TRP A 215
GLY A 216
GLY A 226
 0GJ  A 245 (-3.1A)
0GJ  A 245 (-3.4A)
0GJ  A 245 (-1.4A)
None
0GJ  A 245 (-3.5A)
0GJ  A 245 ( 4.2A)
 0.31A 1bcuH-1a5iA:
16.5		 1bcuH-1a5iA:
32.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1BCU_H_PRLH280_0
(ALPHA-THROMBIN)		 2oq5 TRANSMEMBRANE
PROTEASE, SERINE 11E
(Homo
sapiens) 		7 / 9 ASP A 189
ALA A 190
SER A 195
VAL A 213
TRP A 215
GLY A 216
GLY A 226
 BEN  A 245 (-3.0A)
BEN  A 245 (-3.9A)
BEN  A 245 (-3.3A)
None
None
BEN  A 245 ( 3.8A)
BEN  A 245 (-3.4A)
 0.34A 1bcuH-2oq5A:
35.4		 1bcuH-2oq5A:
37.31
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.
1DF7_A_MTXA501_1
(DIHYDROFOLATE
REDUCTASE)		 2vd9 ALANINE RACEMASE
(Bacillus
anthracis) 		5 / 12 ILE A  36
ALA A  56
ILE A  19
LEU A 246
ILE A  26
 None
None
None
MLY  A 245 ( 4.1A)
MLY  A  27 ( 3.7A)
 0.89A 1df7A-2vd9A:
undetectable		 1df7A-2vd9A:
17.22
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.
1DG5_A_TOPA201_1
(DIHYDROFOLATE
REDUCTASE)		 2vd9 ALANINE RACEMASE
(Bacillus
anthracis) 		5 / 11 ILE A  36
ALA A  56
ILE A  19
LEU A 246
ILE A  26
 None
None
None
MLY  A 245 ( 4.1A)
MLY  A  27 ( 3.7A)
 0.86A 1dg5A-2vd9A:
undetectable		 1dg5A-2vd9A:
17.22
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.
1DSS_G_CCSG149_0
(D-GLYCERALDEHYDE-3-P
HOSPHATE-DEHYDROGENA
SE)		 3cql ENDOCHITINASE
(Carica
papaya) 		4 / 7 SER A 120
TYR A 123
ASN A 122
TYR A 125
 NAG  A 245 (-3.7A)
None
None
None
 1.04A 1dssG-3cqlA:
undetectable		 1dssG-3cqlA:
20.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DWC_H_MITH1_1
(ALPHA-THROMBIN
(LARGE SUBUNIT))		 1a5i PLASMINOGEN
ACTIVATOR
(Desmodus
rotundus) 		5 / 9 HIS A  57
ASP A 189
SER A 195
TRP A 215
GLY A 226
 0GJ  A 245 (-2.7A)
0GJ  A 245 (-3.1A)
0GJ  A 245 (-1.4A)
None
0GJ  A 245 ( 4.2A)
 0.48A 1dwcH-1a5iA:
33.2		 1dwcH-1a5iA:
32.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DWC_H_MITH1_1
(ALPHA-THROMBIN
(LARGE SUBUNIT))		 2oq5 TRANSMEMBRANE
PROTEASE, SERINE 11E
(Homo
sapiens) 		5 / 9 HIS A  57
ASP A 189
SER A 195
TRP A 215
GLY A 226
 None
BEN  A 245 (-3.0A)
BEN  A 245 (-3.3A)
None
BEN  A 245 (-3.4A)
 0.40A 1dwcH-2oq5A:
34.7		 1dwcH-2oq5A:
37.31
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.
1DZ9_A_CAMA503_0
(CYTOCHROME P450-CAM)		 4yzr POLYKETIDE
BIOSYNTHESIS
CYTOCHROME P450 PKSS
(Bacillus
subtilis) 		4 / 8 LEU A 237
VAL A 240
THR A 245
VAL A 288
 LEU  A 237 ( 0.6A)
VAL  A 240 ( 0.5A)
THR  A 245 ( 0.8A)
VAL  A 288 ( 0.6A)
 0.52A 1dz9A-4yzrA:
42.6		 1dz9A-4yzrA:
27.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E9Y_B_HAEB800_1
(UREASE SUBUNIT BETA)		 2wjf TYROSINE-PROTEIN
PHOSPHATASE CPSB
(Streptococcus
pneumoniae) 		4 / 5 HIS A   5
HIS A  42
HIS A 136
ASP A 199
 MN  A1246 (-3.4A)
MN  A1247 ( 3.3A)
MN  A1245 ( 3.5A)
MN  A1246 ( 2.8A)
 0.96A 1e9yB-2wjfA:
14.0		 1e9yB-2wjfA:
19.11
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.
1EI6_A_PPFA410_1
(PHOSPHONOACETATE
HYDROLASE)		 1zkp HYPOTHETICAL PROTEIN
BA1088
(Bacillus
anthracis) 		4 / 5 ASP A 155
HIS A 211
HIS A  59
HIS A  64
 ZN  A 246 ( 2.4A)
ZN  A 246 (-3.2A)
ZN  A 245 (-3.3A)
ZN  A 246 (-3.2A)
 1.22A 1ei6A-1zkpA:
undetectable		 1ei6A-1zkpA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EKJ_C_ACTC3004_0
(BETA-CARBONIC
ANHYDRASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		4 / 6 GLN A 113
ASP A 440
VAL A 436
GLY A 111
 GLC  A1457 ( 2.8A)
BGC  A2457 ( 2.7A)
BGC  A2457 ( 4.9A)
GLC  A1457 ( 3.5A)
 1.27A 1ekjC-1ua4A:
undetectable
1ekjD-1ua4A:
undetectable		 1ekjC-1ua4A:
19.01
1ekjD-1ua4A:
19.01
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.
1EKJ_C_ACTC3007_0
(BETA-CARBONIC
ANHYDRASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		4 / 6 ASP A 440
VAL A 436
GLY A 111
GLN A 113
 BGC  A2457 ( 2.7A)
BGC  A2457 ( 4.9A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 2.8A)
 1.27A 1ekjC-1ua4A:
undetectable
1ekjD-1ua4A:
undetectable		 1ekjC-1ua4A:
19.01
1ekjD-1ua4A:
19.01
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.
1EPB_A_9CRA165_2
(EPIDIDYMAL RETINOIC
ACID-BINDING PROTEIN)		 3gle PILIN
(Streptococcus
pyogenes) 		4 / 7 PHE A 194
ALA A 227
VAL A 210
VAL A 245
 PHE  A 194 ( 1.3A)
ALA  A 227 ( 0.0A)
VAL  A 210 ( 0.6A)
VAL  A 245 ( 0.5A)
 0.60A 1epbA-3gleA:
undetectable		 1epbA-3gleA:
23.84
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.
1EPB_B_9CRB165_2
(EPIDIDYMAL RETINOIC
ACID-BINDING PROTEIN)		 3gle PILIN
(Streptococcus
pyogenes) 		4 / 8 PHE A 194
ALA A 227
VAL A 210
VAL A 245
 PHE  A 194 ( 1.3A)
ALA  A 227 ( 0.0A)
VAL  A 210 ( 0.6A)
VAL  A 245 ( 0.5A)
 0.63A 1epbB-3gleA:
undetectable		 1epbB-3gleA:
23.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ETR_H_MITH1_1
(EPSILON-THROMBIN)		 1a5i PLASMINOGEN
ACTIVATOR
(Desmodus
rotundus) 		6 / 12 HIS A  57
ASP A 189
SER A 195
TRP A 215
GLY A 216
GLY A 226
 0GJ  A 245 (-2.7A)
0GJ  A 245 (-3.1A)
0GJ  A 245 (-1.4A)
None
0GJ  A 245 (-3.5A)
0GJ  A 245 ( 4.2A)
 0.68A 1etrH-1a5iA:
32.8		 1etrH-1a5iA:
33.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ETR_H_MITH1_1
(EPSILON-THROMBIN)		 2oq5 TRANSMEMBRANE
PROTEASE, SERINE 11E
(Homo
sapiens) 		7 / 12 HIS A  57
ASP A 189
SER A 195
VAL A 213
TRP A 215
GLY A 216
GLY A 226
 None
BEN  A 245 (-3.0A)
BEN  A 245 (-3.3A)
None
None
BEN  A 245 ( 3.8A)
BEN  A 245 (-3.4A)
 0.45A 1etrH-2oq5A:
34.6		 1etrH-2oq5A:
35.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		 1a5i PLASMINOGEN
ACTIVATOR
(Desmodus
rotundus) 		4 / 8 ASP A 189
SER A 195
GLY A 216
GLY A 226
 0GJ  A 245 (-3.1A)
0GJ  A 245 (-1.4A)
0GJ  A 245 (-3.5A)
0GJ  A 245 ( 4.2A)
 0.37A 1f5lA-1a5iA:
35.8		 1f5lA-1a5iA:
39.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		 2oq5 TRANSMEMBRANE
PROTEASE, SERINE 11E
(Homo
sapiens) 		5 / 8 ASP A 189
SER A 195
VAL A 213
GLY A 216
GLY A 226
 BEN  A 245 (-3.0A)
BEN  A 245 (-3.3A)
None
BEN  A 245 ( 3.8A)
BEN  A 245 (-3.4A)
 0.34A 1f5lA-2oq5A:
36.5		 1f5lA-2oq5A:
35.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1GSE_A_EAAA224_1
(GLUTATHIONE
TRANSFERASE)		 1vf1 GLUTATHIONE
S-TRANSFERASE 3
(Gallus
gallus) 		5 / 12 ARG A  13
GLY A  14
LYS A  15
LEU A 107
PRO A 110
 None
None
GSH  A2457 (-3.6A)
None
None
 1.20A 1gseA-1vf1A:
32.8		 1gseA-1vf1A:
64.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1GSE_A_EAAA224_1
(GLUTATHIONE
TRANSFERASE)		 1vf1 GLUTATHIONE
S-TRANSFERASE 3
(Gallus
gallus) 		5 / 12 TYR A   9
ARG A  13
GLY A  14
LYS A  15
LEU A 107
 None
None
None
GSH  A2457 (-3.6A)
None
 0.91A 1gseA-1vf1A:
32.8		 1gseA-1vf1A:
64.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1GSE_A_EAAA224_1
(GLUTATHIONE
TRANSFERASE)		 1vf1 GLUTATHIONE
S-TRANSFERASE 3
(Gallus
gallus) 		5 / 12 TYR A   9
PHE A  10
GLY A  14
LYS A  15
LEU A 107
 None
None
None
GSH  A2457 (-3.6A)
None
 1.25A 1gseA-1vf1A:
32.8		 1gseA-1vf1A:
64.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1GSE_B_EAAB224_1
(GLUTATHIONE
TRANSFERASE)		 1vf1 GLUTATHIONE
S-TRANSFERASE 3
(Gallus
gallus) 		5 / 12 TYR A   9
ARG A  13
GLY A  14
LYS A  15
LEU A 107
 None
None
None
GSH  A2457 (-3.6A)
None
 0.94A 1gseB-1vf1A:
32.8		 1gseB-1vf1A:
64.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTN_G_TRPG81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 3qm1 CINNAMOYL ESTERASE
(Lactobacillus
johnsonii) 		4 / 7 GLY A 104
HIS A 105
THR A 239
ILE A  30
 None
ZYC  A 245 ( 4.4A)
None
None
 0.95A 1gtnF-3qm1A:
undetectable
1gtnG-3qm1A:
undetectable		 1gtnF-3qm1A:
14.06
1gtnG-3qm1A:
14.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HPV_B_478B200_2
(HIV-1 PROTEASE)		 1lqt FPRA
(Mycobacterium
tuberculosis) 		5 / 9 ALA A  15
GLY A 358
ILE A 360
VAL A 100
ILE A   8
 None
FAD  A2457 (-2.6A)
None
None
None
 1.13A 1hpvB-1lqtA:
undetectable		 1hpvB-1lqtA:
14.65
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.
1IE9_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		 3qm1 CINNAMOYL ESTERASE
(Lactobacillus
johnsonii) 		5 / 12 LEU A 191
SER A 113
VAL A 200
HIS A 225
HIS A 105
 None
CL  A 292 (-4.9A)
None
ZYC  A 245 ( 3.9A)
ZYC  A 245 ( 4.4A)
 1.35A 1ie9A-3qm1A:
undetectable		 1ie9A-3qm1A:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JB0_B_PQNB2002_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 3cql ENDOCHITINASE
(Carica
papaya) 		5 / 11 PHE A  34
ILE A 117
ALA A 154
LEU A 155
ALA A  37
 None
NAG  A 245 (-4.3A)
None
None
None
 1.10A 1jb0B-3cqlA:
undetectable		 1jb0B-3cqlA:
16.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KIJ_A_NOVA400_2
(DNA GYRASE SUBUNIT B)		 2pnn TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 1
(Rattus
norvegicus) 		3 / 3 ASN A 301
PHE A 245
VAL A 294
 ASN  A 301 ( 0.6A)
PHE  A 245 ( 1.3A)
VAL  A 294 ( 0.5A)
 0.81A 1kijA-2pnnA:
undetectable		 1kijA-2pnnA:
21.81
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.
1LIN_A_TFPA154_1
(CALMODULIN)		 1fuj PR3
(Homo
sapiens) 		4 / 7 LEU A 137
MET A 139
GLU A 157
LEU A 155
 FUC  A 245 (-4.0A)
None
None
None
 1.12A 1linA-1fujA:
undetectable		 1linA-1fujA:
18.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1LQT_A_ACTA1866_0
(FPRA)		 1lqt FPRA
(Mycobacterium
tuberculosis) 		4 / 4 ARG A 110
LEU A 112
ASN A 113
VAL A 322
 ACT  A1866 ( 2.5A)
ACT  A1866 (-4.1A)
ACT  A1866 (-4.4A)
ODP  A2458 ( 3.8A)
 0.00A 1lqtA-1lqtA:
66.0		 1lqtA-1lqtA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1LQT_A_ACTA1870_0
(FPRA)		 1lqt FPRA
(Mycobacterium
tuberculosis) 		4 / 4 HIS A  57
PRO A  58
LYS A  59
ILE A  60
 ACT  A1869 (-3.7A)
ACT  A1870 (-3.3A)
ACT  A1870 (-4.8A)
FAD  A2457 ( 3.5A)
 0.31A 1lqtA-1lqtA:
66.0		 1lqtA-1lqtA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1LQT_B_ACTB1875_0
(FPRA)		 1lqt FPRA
(Mycobacterium
tuberculosis) 		4 / 4 ARG A 110
LEU A 112
ASN A 113
VAL A 322
 ACT  A1866 ( 2.5A)
ACT  A1866 (-4.1A)
ACT  A1866 (-4.4A)
ODP  A2458 ( 3.8A)
 0.05A 1lqtB-1lqtA:
62.8		 1lqtB-1lqtA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1LQU_A_ACTA1423_0
(FPRA)		 1lqt FPRA
(Mycobacterium
tuberculosis) 		4 / 4 ARG A 110
LEU A 112
ASN A 113
VAL A 322
 ACT  A1866 ( 2.5A)
ACT  A1866 (-4.1A)
ACT  A1866 (-4.4A)
ODP  A2458 ( 3.8A)
 0.03A 1lquA-1lqtA:
64.3		 1lquA-1lqtA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1LQU_B_ACTB1432_0
(FPRA)		 1lqt FPRA
(Mycobacterium
tuberculosis) 		4 / 4 ARG A 110
LEU A 112
ASN A 113
VAL A 322
 ACT  A1866 ( 2.5A)
ACT  A1866 (-4.1A)
ACT  A1866 (-4.4A)
ODP  A2458 ( 3.8A)
 0.07A 1lquB-1lqtA:
62.7		 1lquB-1lqtA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MX1_F_THAF6_1
(LIVER
CARBOXYLESTERASE I)		 1y9a NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE
(Entamoeba
histolytica) 		5 / 12 GLY A 244
GLY A 243
VAL A 178
LEU A 268
HIS A  42
 OHS  A 245 ( 2.4A)
None
None
None
None
 1.05A 1mx1F-1y9aA:
undetectable		 1mx1F-1y9aA:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N49_D_RITD401_1
(PROTEASE)		 1fuj PR3
(Homo
sapiens) 		6 / 11 GLY A  44
VAL A 121
ILE A 200
GLY A 211
PRO A 124
ILE A  47
 None
None
FUC  A 245 (-4.3A)
None
None
None
 1.37A 1n49C-1fujA:
undetectable		 1n49C-1fujA:
19.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1O76_B_CAMB1420_0
(CYTOCHROME P450-CAM)		 4yzr POLYKETIDE
BIOSYNTHESIS
CYTOCHROME P450 PKSS
(Bacillus
subtilis) 		4 / 8 LEU A 237
VAL A 240
THR A 245
VAL A 288
 LEU  A 237 ( 0.6A)
VAL  A 240 ( 0.5A)
THR  A 245 ( 0.8A)
VAL  A 288 ( 0.6A)
 0.60A 1o76B-4yzrA:
42.4		 1o76B-4yzrA:
27.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PK2_A_ACAA91_1
(TISSUE-TYPE
PLASMINOGEN
ACTIVATOR)		 1lqt FPRA
(Mycobacterium
tuberculosis) 		4 / 8 VAL A 129
TYR A 132
ASP A  56
LEU A  48
 FAD  A2457 ( 4.3A)
None
ACT  A1869 (-3.7A)
FAD  A2457 (-2.9A)
 1.18A 1pk2A-1lqtA:
undetectable		 1pk2A-1lqtA:
10.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q23_B_FUAB703_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 1y9a NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE
(Entamoeba
histolytica) 		3 / 3 VAL A 253
ALA A 250
HIS A 247
 None
None
OHS  A 245 ( 3.7A)
 0.74A 1q23C-1y9aA:
undetectable		 1q23C-1y9aA:
17.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q23_C_FUAC701_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE
(Lactococcus
lactis) 		4 / 4 ALA A 212
VAL A 246
ALA A 245
HIS A 214
 ALA  A 212 ( 0.0A)
VAL  A 246 ( 0.6A)
ALA  A 245 ( 0.0A)
HIS  A 214 ( 1.0A)
 1.13A 1q23A-2vbfA:
undetectable		 1q23A-2vbfA:
15.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q23_E_FUAE706_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE
(Lactococcus
lactis) 		4 / 4 ALA A 212
VAL A 246
ALA A 245
HIS A 214
 ALA  A 212 ( 0.0A)
VAL  A 246 ( 0.6A)
ALA  A 245 ( 0.0A)
HIS  A 214 ( 1.0A)
 1.20A 1q23F-2vbfA:
undetectable		 1q23F-2vbfA:
15.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q23_G_FUAG708_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 1y9a NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE
(Entamoeba
histolytica) 		3 / 3 VAL A 253
ALA A 250
HIS A 247
 None
None
OHS  A 245 ( 3.7A)
 0.74A 1q23H-1y9aA:
undetectable		 1q23H-1y9aA:
17.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q23_K_FUAK712_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 1y9a NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE
(Entamoeba
histolytica) 		3 / 3 VAL A 253
ALA A 250
HIS A 247
 None
None
OHS  A 245 ( 3.7A)
 0.77A 1q23L-1y9aA:
undetectable		 1q23L-1y9aA:
17.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q23_L_FUAL710_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 1y9a NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE
(Entamoeba
histolytica) 		3 / 3 VAL A 253
ALA A 250
HIS A 247
 None
None
OHS  A 245 ( 3.7A)
 0.75A 1q23J-1y9aA:
undetectable		 1q23J-1y9aA:
17.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RK3_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
(Escherichia
coli) 		5 / 12 LEU A 716
SER A 714
SER A 607
HIS A1184
HIS A1163
 None
MD1  A1245 (-3.9A)
None
MD1  A1245 ( 4.6A)
MD1  A1245 (-3.4A)
 1.44A 1rk3A-3egwA:
undetectable		 1rk3A-3egwA:
12.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S3Z_B_RIOB501_0
(AMINOGLYCOSIDE
6'-N-ACETYLTRANSFERA
SE)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
(Escherichia
coli) 		4 / 8 TYR A 217
VAL A 237
HIS A 546
ASP A 801
 None
None
MD1  A1245 (-4.0A)
None
 1.18A 1s3zA-3egwA:
undetectable
1s3zB-3egwA:
undetectable		 1s3zA-3egwA:
8.52
1s3zB-3egwA:
8.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S8F_B_BEZB1503_0
(RAS-RELATED PROTEIN
RAB-9A)		 3qm1 CINNAMOYL ESTERASE
(Lactobacillus
johnsonii) 		4 / 6 VAL A 147
THR A 144
LEU A 158
PHE A 160
 NA  A 287 ( 4.0A)
ZYC  A 245 (-3.8A)
None
None
 0.99A 1s8fB-3qm1A:
4.8		 1s8fB-3qm1A:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SBR_A_VIBA501_1
(YKOF)		 3ti2 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE
(Vibrio
cholerae) 		4 / 8 SER A  21
LEU A  45
ILE A  50
THR A  97
 None
None
None
CL  A 245 ( 4.4A)
 0.98A 1sbrA-3ti2A:
undetectable		 1sbrA-3ti2A:
21.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TNL_A_TPAA900_1
(TRYPSIN)		 1a5i PLASMINOGEN
ACTIVATOR
(Desmodus
rotundus) 		4 / 6 ASP A 189
SER A 195
GLY A 216
GLY A 226
 0GJ  A 245 (-3.1A)
0GJ  A 245 (-1.4A)
0GJ  A 245 (-3.5A)
0GJ  A 245 ( 4.2A)
 0.38A 1tnlA-1a5iA:
31.4		 1tnlA-1a5iA:
36.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TNL_A_TPAA900_1
(TRYPSIN)		 2oq5 TRANSMEMBRANE
PROTEASE, SERINE 11E
(Homo
sapiens) 		5 / 6 ASP A 189
SER A 195
VAL A 213
GLY A 216
GLY A 226
 BEN  A 245 (-3.0A)
BEN  A 245 (-3.3A)
None
BEN  A 245 ( 3.8A)
BEN  A 245 (-3.4A)
 0.25A 1tnlA-2oq5A:
14.3		 1tnlA-2oq5A:
37.80
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.
1TUV_A_VK3A4558_1
(PROTEIN YGIN)		 3nn2 CHLORITE DISMUTASE
(Nitrospira
defluvii) 		4 / 7 HIS A 177
LEU A 175
TYR A 110
ILE A 139
 None
CYN  A 245 ( 4.0A)
PO4  A 240 ( 4.4A)
HEM  A 239 (-3.8A)
 1.11A 1tuvA-3nn2A:
5.1		 1tuvA-3nn2A:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TUV_A_VK3A4558_1
(PROTEIN YGIN)		 4oal CYTOKININ
DEHYDROGENASE 4
(Zea
mays) 		4 / 7 TYR A 425
GLU A 285
LEU A 452
TYR A 487
 None
None
245  A 602 (-4.1A)
FAD  A 601 ( 4.6A)
 1.03A 1tuvA-4oalA:
2.9		 1tuvA-4oalA:
13.10
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.
1UKB_A_BEZA1300_0
(2-HYDROXY-6-OXO-7-ME
THYLOCTA-2,4-DIENOAT
E HYDROLASE)		 3qm1 CINNAMOYL ESTERASE
(Lactobacillus
johnsonii) 		5 / 11 GLY A  33
ALA A 106
VAL A 199
VAL A 200
HIS A 225
 ZYC  A 245 (-3.4A)
ZYC  A 245 (-3.0A)
NA  A 249 ( 4.0A)
None
ZYC  A 245 ( 3.9A)
 0.39A 1ukbA-3qm1A:
21.9		 1ukbA-3qm1A:
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.
1USQ_B_CLMB1143_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 1lqt FPRA
(Mycobacterium
tuberculosis) 		4 / 6 PRO A  45
GLY A  12
ILE A   8
GLY A  10
 ACT  A1871 ( 4.1A)
FAD  A2457 (-3.6A)
None
FAD  A2457 (-3.2A)
 0.84A 1usqB-1lqtA:
undetectable		 1usqB-1lqtA:
17.09
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.
1USQ_D_CLMD1142_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 1lqt FPRA
(Mycobacterium
tuberculosis) 		4 / 6 PRO A  45
GLY A  12
ILE A   8
GLY A  10
 ACT  A1871 ( 4.1A)
FAD  A2457 (-3.6A)
None
FAD  A2457 (-3.2A)
 0.83A 1usqD-1lqtA:
undetectable		 1usqD-1lqtA:
17.09
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.
1USQ_E_CLME1143_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 1lqt FPRA
(Mycobacterium
tuberculosis) 		4 / 6 PRO A  45
GLY A  12
ILE A   8
GLY A  10
 ACT  A1871 ( 4.1A)
FAD  A2457 (-3.6A)
None
FAD  A2457 (-3.2A)
 0.82A 1usqE-1lqtA:
undetectable		 1usqE-1lqtA:
17.09
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.
1USQ_F_CLMF1144_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 1lqt FPRA
(Mycobacterium
tuberculosis) 		4 / 7 PRO A  45
GLY A  12
ILE A   8
GLY A  10
 ACT  A1871 ( 4.1A)
FAD  A2457 (-3.6A)
None
FAD  A2457 (-3.2A)
 0.83A 1usqF-1lqtA:
undetectable		 1usqF-1lqtA:
17.09
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.
1USQ_F_CLMF1144_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 1vpl ABC TRANSPORTER,
ATP-BINDING PROTEIN
(Thermotoga
maritima) 		4 / 7 GLY A  39
THR A  44
ILE A  18
GLY A  41
 SO4  A 245 (-3.5A)
None
None
SO4  A 245 (-3.3A)
 0.83A 1usqF-1vplA:
undetectable		 1usqF-1vplA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UYU_A_CAMA1416_0
(CYTOCHROME P450-CAM)		 4yzr POLYKETIDE
BIOSYNTHESIS
CYTOCHROME P450 PKSS
(Bacillus
subtilis) 		4 / 8 LEU A 237
VAL A 240
THR A 245
VAL A 288
 LEU  A 237 ( 0.6A)
VAL  A 240 ( 0.5A)
THR  A 245 ( 0.8A)
VAL  A 288 ( 0.6A)
 0.70A 1uyuA-4yzrA:
42.7		 1uyuA-4yzrA:
27.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V55_P_CHDP4525_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE III)		 1zkp HYPOTHETICAL PROTEIN
BA1088
(Bacillus
anthracis) 		4 / 7 LEU A 207
HIS A  64
THR A 210
HIS A 134
 None
ZN  A 246 (-3.2A)
None
ZN  A 245 (-3.3A)
 1.21A 1v55C-1zkpA:
undetectable
1v55N-1zkpA:
undetectable
1v55P-1zkpA:
undetectable		 1v55C-1zkpA:
21.53
1v55N-1zkpA:
20.61
1v55P-1zkpA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V7Z_A_CRNA401_1
(CREATININE
AMIDOHYDROLASE)		 2wjf TYROSINE-PROTEIN
PHOSPHATASE CPSB
(Streptococcus
pneumoniae) 		5 / 8 GLU A  80
HIS A   7
ASP A 199
HIS A 136
HIS A  42
 MN  A1246 (-2.4A)
MN  A1246 ( 3.3A)
MN  A1246 ( 2.8A)
MN  A1245 ( 3.5A)
MN  A1247 ( 3.3A)
 1.13A 1v7zA-2wjfA:
undetectable		 1v7zA-2wjfA:
22.66
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.
1V7Z_B_CRNB3401_1
(CREATININE
AMIDOHYDROLASE)		 2wjf TYROSINE-PROTEIN
PHOSPHATASE CPSB
(Streptococcus
pneumoniae) 		5 / 8 GLU A  80
HIS A   7
ASP A 199
HIS A 136
HIS A  42
 MN  A1246 (-2.4A)
MN  A1246 ( 3.3A)
MN  A1246 ( 2.8A)
MN  A1245 ( 3.5A)
MN  A1247 ( 3.3A)
 1.13A 1v7zB-2wjfA:
undetectable		 1v7zB-2wjfA:
22.66
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.
1V7Z_C_CRNC4401_1
(CREATININE
AMIDOHYDROLASE)		 2wjf TYROSINE-PROTEIN
PHOSPHATASE CPSB
(Streptococcus
pneumoniae) 		5 / 8 GLU A  80
HIS A   7
ASP A 199
HIS A 136
HIS A  42
 MN  A1246 (-2.4A)
MN  A1246 ( 3.3A)
MN  A1246 ( 2.8A)
MN  A1245 ( 3.5A)
MN  A1247 ( 3.3A)
 1.13A 1v7zC-2wjfA:
undetectable		 1v7zC-2wjfA:
22.66
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.
1V7Z_D_CRND5401_1
(CREATININE
AMIDOHYDROLASE)		 2wjf TYROSINE-PROTEIN
PHOSPHATASE CPSB
(Streptococcus
pneumoniae) 		5 / 8 GLU A  80
HIS A   7
ASP A 199
HIS A 136
HIS A  42
 MN  A1246 (-2.4A)
MN  A1246 ( 3.3A)
MN  A1246 ( 2.8A)
MN  A1245 ( 3.5A)
MN  A1247 ( 3.3A)
 1.14A 1v7zD-2wjfA:
undetectable		 1v7zD-2wjfA:
22.66
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.
1V7Z_E_CRNE6401_1
(CREATININE
AMIDOHYDROLASE)		 2wjf TYROSINE-PROTEIN
PHOSPHATASE CPSB
(Streptococcus
pneumoniae) 		5 / 8 GLU A  80
HIS A   7
ASP A 199
HIS A 136
HIS A  42
 MN  A1246 (-2.4A)
MN  A1246 ( 3.3A)
MN  A1246 ( 2.8A)
MN  A1245 ( 3.5A)
MN  A1247 ( 3.3A)
 1.15A 1v7zE-2wjfA:
undetectable		 1v7zE-2wjfA:
22.66
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.
1V7Z_F_CRNF7401_1
(CREATININE
AMIDOHYDROLASE)		 2wjf TYROSINE-PROTEIN
PHOSPHATASE CPSB
(Streptococcus
pneumoniae) 		5 / 8 GLU A  80
HIS A   7
ASP A 199
HIS A 136
HIS A  42
 MN  A1246 (-2.4A)
MN  A1246 ( 3.3A)
MN  A1246 ( 2.8A)
MN  A1245 ( 3.5A)
MN  A1247 ( 3.3A)
 1.13A 1v7zF-2wjfA:
undetectable		 1v7zF-2wjfA:
22.66
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.
1YA4_B_CTXB2_1
(CES1 PROTEIN)		 1cyd CARBONYL REDUCTASE
(Mus
musculus) 		5 / 12 GLY A  16
VAL A  24
LEU A  44
LEU A  47
LEU A  61
 NDP  A 245 (-3.7A)
None
None
None
NDP  A 245 (-3.8A)
 1.30A 1ya4B-1cydA:
3.4		 1ya4B-1cydA:
19.81
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.
1YAJ_C_BEZC5013_0
(CES1 PROTEIN)		 1lqt FPRA
(Mycobacterium
tuberculosis) 		5 / 8 GLY A  12
GLY A  10
SER A  14
ALA A  15
ILE A 360
 FAD  A2457 (-3.6A)
FAD  A2457 (-3.2A)
FAD  A2457 (-2.7A)
None
None
 0.93A 1yajC-1lqtA:
undetectable		 1yajC-1lqtA:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AVV_E_MK1E902_2
(POL POLYPROTEIN)		 1lqt FPRA
(Mycobacterium
tuberculosis) 		3 / 3 ASP A 118
ILE A 287
VAL A 322
 None
None
ODP  A2458 ( 3.8A)
 0.66A 2avvD-1lqtA:
undetectable		 2avvD-1lqtA:
14.90
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.
2BNN_B_FCNB1199_1
(EPOXIDASE)		 2wjf TYROSINE-PROTEIN
PHOSPHATASE CPSB
(Streptococcus
pneumoniae) 		4 / 8 HIS A   7
GLU A  80
HIS A  42
ALA A 135
 MN  A1246 ( 3.3A)
MN  A1246 (-2.4A)
MN  A1247 ( 3.3A)
MN  A1245 ( 4.7A)
 1.01A 2bnnA-2wjfA:
undetectable
2bnnB-2wjfA:
undetectable		 2bnnA-2wjfA:
24.49
2bnnB-2wjfA:
24.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BR4_C_SAMC301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 3l77 SHORT-CHAIN ALCOHOL
DEHYDROGENASE
(Thermococcus
sibiricus) 		5 / 12 GLY A   8
ARG A  33
ASP A  59
SER A  61
ALA A  87
 NJP  A 501 (-3.3A)
NJP  A 501 (-3.5A)
NJP  A 501 (-3.6A)
PG4  A 245 ( 4.1A)
NJP  A 501 (-3.5A)
 0.85A 2br4C-3l77A:
6.0		 2br4C-3l77A:
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.
2BR4_F_SAMF301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN
(Escherichia
coli;
Escherichia
coli) 		5 / 12 GLU A1166
TYR A1101
SER A1099
ASP B 105
ALA A 105
 None
None
MD1  A1245 (-2.7A)
None
None
 1.13A 2br4F-3egwA:
3.8		 2br4F-3egwA:
11.77
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.
2BXE_A_1FLA2001_1
(SERUM ALBUMIN)		 1lqt FPRA
(Mycobacterium
tuberculosis) 		5 / 11 ARG A  96
TYR A  97
VAL A  84
GLY A  85
LEU A  39
 None
None
FAD  A2457 (-3.6A)
FAD  A2457 ( 4.7A)
None
 1.25A 2bxeA-1lqtA:
undetectable		 2bxeA-1lqtA:
23.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CML_A_ZMRA1478_1
(NEURAMINIDASE)		 1tj5 SUCROSE-PHOSPHATASE
(Synechocystis
sp.
PCC
6803) 		4 / 7 SER A 150
ASP A 153
SER A 149
SER A 187
 SUC  A 245 ( 4.6A)
SUC  A 245 ( 4.0A)
SUC  A 245 (-3.6A)
MG  A 247 (-2.6A)
 1.14A 2cmlA-1tj5A:
undetectable		 2cmlA-1tj5A:
20.41
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.
2CML_C_ZMRC3478_1
(NEURAMINIDASE)		 1tj5 SUCROSE-PHOSPHATASE
(Synechocystis
sp.
PCC
6803) 		4 / 8 SER A 150
ASP A 153
SER A 149
SER A 187
 SUC  A 245 ( 4.6A)
SUC  A 245 ( 4.0A)
SUC  A 245 (-3.6A)
MG  A 247 (-2.6A)
 1.06A 2cmlC-1tj5A:
undetectable		 2cmlC-1tj5A:
20.41
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.
2GSS_A_EAAA0_1
(GLUTATHIONE
S-TRANSFERASE P1-1)		 4uqm URACIL-DNA
GLYCOSYLASE
(Deinococcus
radiodurans) 		5 / 8 TYR A  85
VAL A  98
ILE A 111
TYR A 112
GLY A 128
 CL  A1245 (-4.3A)
None
None
None
None
 1.10A 2gssA-4uqmA:
undetectable		 2gssA-4uqmA:
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.
2GSS_B_EAAB0_1
(GLUTATHIONE
S-TRANSFERASE P1-1)		 4uqm URACIL-DNA
GLYCOSYLASE
(Deinococcus
radiodurans) 		5 / 8 TYR A  85
VAL A  98
ILE A 111
TYR A 112
GLY A 128
 CL  A1245 (-4.3A)
None
None
None
None
 1.10A 2gssB-4uqmA:
undetectable		 2gssB-4uqmA:
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.
2HDN_B_TACB1888_1
(ELONGATION FACTOR
EF-TU)		 1vpl ABC TRANSPORTER,
ATP-BINDING PROTEIN
(Thermotoga
maritima) 		4 / 5 THR A  43
ASP A 159
PRO A  82
SER A  50
 SO4  A 245 (-3.9A)
None
None
None
 1.39A 2hdnA-1vplA:
undetectable
2hdnB-1vplA:
0.0
2hdnD-1vplA:
undetectable		 2hdnA-1vplA:
12.57
2hdnB-1vplA:
22.70
2hdnD-1vplA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HDN_B_TACB1888_1
(ELONGATION FACTOR
EF-TU)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
(Escherichia
coli) 		4 / 5 THR A 788
SER A 198
ASP A 822
SER A 195
 MD1  A1245 (-3.5A)
MD1  A1245 ( 4.4A)
MD1  A1245 (-2.8A)
MD1  A1245 ( 4.5A)
 1.18A 2hdnA-3egwA:
undetectable
2hdnB-3egwA:
2.2
2hdnD-3egwA:
2.2		 2hdnA-3egwA:
5.14
2hdnB-3egwA:
14.04
2hdnD-3egwA:
14.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HDN_D_TACD2888_1
(ELONGATION FACTOR
EF-TU)		 1vpl ABC TRANSPORTER,
ATP-BINDING PROTEIN
(Thermotoga
maritima) 		4 / 5 SER A  50
THR A  43
ASP A 159
PRO A  82
 None
SO4  A 245 (-3.9A)
None
None
 1.37A 2hdnB-1vplA:
0.0
2hdnC-1vplA:
0.0
2hdnD-1vplA:
undetectable		 2hdnB-1vplA:
22.70
2hdnC-1vplA:
12.57
2hdnD-1vplA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HDN_D_TACD2888_1
(ELONGATION FACTOR
EF-TU)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
(Escherichia
coli) 		4 / 5 SER A 195
THR A 788
SER A 198
ASP A 822
 MD1  A1245 ( 4.5A)
MD1  A1245 (-3.5A)
MD1  A1245 ( 4.4A)
MD1  A1245 (-2.8A)
 1.19A 2hdnB-3egwA:
2.2
2hdnC-3egwA:
undetectable
2hdnD-3egwA:
2.2		 2hdnB-3egwA:
14.04
2hdnC-3egwA:
5.14
2hdnD-3egwA:
14.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HDN_J_TACJ5888_1
(ELONGATION FACTOR
EF-TU)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
(Escherichia
coli) 		4 / 6 THR A 788
SER A 198
ASP A 822
SER A 195
 MD1  A1245 (-3.5A)
MD1  A1245 ( 4.4A)
MD1  A1245 (-2.8A)
MD1  A1245 ( 4.5A)
 1.18A 2hdnI-3egwA:
undetectable
2hdnJ-3egwA:
2.2
2hdnL-3egwA:
undetectable		 2hdnI-3egwA:
5.14
2hdnJ-3egwA:
14.04
2hdnL-3egwA:
14.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HDN_L_TACL6888_1
(ELONGATION FACTOR
EF-TU)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
(Escherichia
coli) 		4 / 6 SER A 195
THR A 788
SER A 198
ASP A 822
 MD1  A1245 ( 4.5A)
MD1  A1245 (-3.5A)
MD1  A1245 ( 4.4A)
MD1  A1245 (-2.8A)
 1.18A 2hdnJ-3egwA:
undetectable
2hdnK-3egwA:
undetectable
2hdnL-3egwA:
undetectable		 2hdnJ-3egwA:
14.04
2hdnK-3egwA:
5.14
2hdnL-3egwA:
14.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JKJ_A_CLMA1141_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 1lqt FPRA
(Mycobacterium
tuberculosis) 		4 / 6 PRO A  45
GLY A  12
ILE A   8
GLY A  10
 ACT  A1871 ( 4.1A)
FAD  A2457 (-3.6A)
None
FAD  A2457 (-3.2A)
 0.79A 2jkjA-1lqtA:
undetectable		 2jkjA-1lqtA:
17.09
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.
2JKJ_B_CLMB1141_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 1lqt FPRA
(Mycobacterium
tuberculosis) 		4 / 6 PRO A  45
GLY A  12
ILE A   8
GLY A  10
 ACT  A1871 ( 4.1A)
FAD  A2457 (-3.6A)
None
FAD  A2457 (-3.2A)
 0.79A 2jkjB-1lqtA:
undetectable		 2jkjB-1lqtA:
17.09
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.
2JKJ_C_CLMC1141_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 1lqt FPRA
(Mycobacterium
tuberculosis) 		4 / 6 PRO A  45
GLY A  12
ILE A   8
GLY A  10
 ACT  A1871 ( 4.1A)
FAD  A2457 (-3.6A)
None
FAD  A2457 (-3.2A)
 0.80A 2jkjC-1lqtA:
undetectable		 2jkjC-1lqtA:
17.09
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.
2JKJ_E_CLME1141_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 1lqt FPRA
(Mycobacterium
tuberculosis) 		4 / 7 PRO A  45
GLY A  12
ILE A   8
GLY A  10
 ACT  A1871 ( 4.1A)
FAD  A2457 (-3.6A)
None
FAD  A2457 (-3.2A)
 0.78A 2jkjE-1lqtA:
undetectable		 2jkjE-1lqtA:
17.09
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.
2JKL_A_CLMA1144_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 1lqt FPRA
(Mycobacterium
tuberculosis) 		4 / 7 PRO A  45
GLY A  12
ILE A   8
GLY A  10
 ACT  A1871 ( 4.1A)
FAD  A2457 (-3.6A)
None
FAD  A2457 (-3.2A)
 0.83A 2jklA-1lqtA:
undetectable		 2jklA-1lqtA:
17.09
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.
2JKL_B_CLMB1144_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 1lqt FPRA
(Mycobacterium
tuberculosis) 		4 / 6 PRO A  45
GLY A  12
ILE A   8
GLY A  10
 ACT  A1871 ( 4.1A)
FAD  A2457 (-3.6A)
None
FAD  A2457 (-3.2A)
 0.83A 2jklB-1lqtA:
undetectable		 2jklB-1lqtA:
17.09
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.
2JKL_C_CLMC1143_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 1lqt FPRA
(Mycobacterium
tuberculosis) 		4 / 7 PRO A  45
GLY A  12
ILE A   8
GLY A  10
 ACT  A1871 ( 4.1A)
FAD  A2457 (-3.6A)
None
FAD  A2457 (-3.2A)
 0.86A 2jklC-1lqtA:
undetectable		 2jklC-1lqtA:
17.09
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.
2JKL_D_CLMD1145_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 1lqt FPRA
(Mycobacterium
tuberculosis) 		4 / 7 PRO A  45
GLY A  12
ILE A   8
GLY A  10
 ACT  A1871 ( 4.1A)
FAD  A2457 (-3.6A)
None
FAD  A2457 (-3.2A)
 0.83A 2jklD-1lqtA:
undetectable		 2jklD-1lqtA:
17.09
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.
2JKL_E_CLME1143_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 1lqt FPRA
(Mycobacterium
tuberculosis) 		4 / 7 PRO A  45
GLY A  12
ILE A   8
GLY A  10
 ACT  A1871 ( 4.1A)
FAD  A2457 (-3.6A)
None
FAD  A2457 (-3.2A)
 0.83A 2jklE-1lqtA:
undetectable		 2jklE-1lqtA:
17.09
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.
2JKL_F_CLMF1143_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 1lqt FPRA
(Mycobacterium
tuberculosis) 		4 / 7 PRO A  45
GLY A  12
ILE A   8
GLY A  10
 ACT  A1871 ( 4.1A)
FAD  A2457 (-3.6A)
None
FAD  A2457 (-3.2A)
 0.83A 2jklF-1lqtA:
undetectable		 2jklF-1lqtA:
17.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2OTV_A_NCAA1301_0
(CATIONIC TRYPSIN)		 1a5i PLASMINOGEN
ACTIVATOR
(Desmodus
rotundus) 		4 / 6 ASP A 189
SER A 195
GLY A 216
GLY A 226
 0GJ  A 245 (-3.1A)
0GJ  A 245 (-1.4A)
0GJ  A 245 (-3.5A)
0GJ  A 245 ( 4.2A)
 0.32A 2otvA-1a5iA:
11.7		 2otvA-1a5iA:
37.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2OTV_A_NCAA1301_0
(CATIONIC TRYPSIN)		 2oq5 TRANSMEMBRANE
PROTEASE, SERINE 11E
(Homo
sapiens) 		5 / 6 ASP A 189
SER A 195
VAL A 213
GLY A 216
GLY A 226
 BEN  A 245 (-3.0A)
BEN  A 245 (-3.3A)
None
BEN  A 245 ( 3.8A)
BEN  A 245 (-3.4A)
 0.19A 2otvA-2oq5A:
14.5		 2otvA-2oq5A:
37.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2P16_A_GG2A298_1
(COAGULATION FACTOR X
(EC 3.4.21.6)
(STUART FACTOR)
(STUART-PROWER
FACTOR))		 1a5i PLASMINOGEN
ACTIVATOR
(Desmodus
rotundus) 		8 / 12 TYR A  99
ASP A 189
ALA A 190
SER A 195
TRP A 215
GLY A 216
GLY A 226
TYR A 228
 0GJ  A 245 (-3.9A)
0GJ  A 245 (-3.1A)
0GJ  A 245 (-3.4A)
0GJ  A 245 (-1.4A)
None
0GJ  A 245 (-3.5A)
0GJ  A 245 ( 4.2A)
None
 0.44A 2p16A-1a5iA:
32.5		 2p16A-1a5iA:
35.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2P16_A_GG2A298_1
(COAGULATION FACTOR X
(EC 3.4.21.6)
(STUART FACTOR)
(STUART-PROWER
FACTOR))		 2oq5 TRANSMEMBRANE
PROTEASE, SERINE 11E
(Homo
sapiens) 		8 / 12 ASP A 189
ALA A 190
SER A 195
VAL A 213
TRP A 215
GLY A 216
GLY A 226
TYR A 228
 BEN  A 245 (-3.0A)
BEN  A 245 (-3.9A)
BEN  A 245 (-3.3A)
None
None
BEN  A 245 ( 3.8A)
BEN  A 245 (-3.4A)
None
 0.29A 2p16A-2oq5A:
35.7		 2p16A-2oq5A:
34.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PKK_A_2FAA501_1
(ADENOSINE KINASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
ALA A 268
GLY A 437
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
BGC  A2457 ( 4.7A)
BGC  A2457 ( 4.0A)
BGC  A2457 ( 2.7A)
 0.95A 2pkkA-1ua4A:
19.2		 2pkkA-1ua4A:
23.11
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.
2PKK_A_2FAA501_1
(ADENOSINE KINASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
GLY A 437
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
BGC  A2457 ( 4.0A)
BGC  A2457 ( 2.7A)
 0.37A 2pkkA-1ua4A:
19.2		 2pkkA-1ua4A:
23.11
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.
2PKM_A_ADNA501_1
(ADENOSINE KINASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
GLY A 437
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
BGC  A2457 ( 4.0A)
BGC  A2457 ( 2.7A)
 0.37A 2pkmA-1ua4A:
19.0		 2pkmA-1ua4A:
23.11
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.
2Q0J_B_BEZB500_0
(QUINOLONE SIGNAL
RESPONSE PROTEIN)		 1zkp HYPOTHETICAL PROTEIN
BA1088
(Bacillus
anthracis) 		5 / 11 ASP A  63
HIS A  64
HIS A 134
ASP A 155
HIS A 211
 ZN  A 246 (-2.7A)
ZN  A 246 (-3.2A)
ZN  A 245 (-3.3A)
ZN  A 246 ( 2.4A)
ZN  A 246 (-3.2A)
 0.69A 2q0jB-1zkpA:
10.6		 2q0jB-1zkpA:
23.29
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.
2V7U_A_SAMA1299_0
(5'-FLUORO-5'-DEOXY
ADENOSINE SYNTHETASE)		 3bkw S-ADENOSYLMETHIONINE
DEPENDENT
METHYLTRANSFERASE
(Mesorhizobium
japonicum) 		4 / 8 PHE A 139
SER A 203
ARG A 127
ALA A 110
 None
None
EDO  A 245 (-2.9A)
None
 1.18A 2v7uA-3bkwA:
undetectable		 2v7uA-3bkwA:
24.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VIN_A_505A1247_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR CHAIN B)		 1a5i PLASMINOGEN
ACTIVATOR
(Desmodus
rotundus) 		4 / 8 ASP A 189
SER A 195
GLY A 216
GLY A 226
 0GJ  A 245 (-3.1A)
0GJ  A 245 (-1.4A)
0GJ  A 245 (-3.5A)
0GJ  A 245 ( 4.2A)
 0.43A 2vinA-1a5iA:
36.3		 2vinA-1a5iA:
39.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VIN_A_505A1247_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR CHAIN B)		 2oq5 TRANSMEMBRANE
PROTEASE, SERINE 11E
(Homo
sapiens) 		5 / 8 ASP A 189
SER A 195
VAL A 213
GLY A 216
GLY A 226
 BEN  A 245 (-3.0A)
BEN  A 245 (-3.3A)
None
BEN  A 245 ( 3.8A)
BEN  A 245 (-3.4A)
 0.30A 2vinA-2oq5A:
37.0		 2vinA-2oq5A:
35.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2W26_A_RIVA1001_1
(ACTIVATED FACTOR XA
HEAVY CHAIN)		 1a5i PLASMINOGEN
ACTIVATOR
(Desmodus
rotundus) 		9 / 12 TYR A  99
ASP A 189
ALA A 190
SER A 195
TRP A 215
GLY A 216
GLY A 219
GLY A 226
TYR A 228
 0GJ  A 245 (-3.9A)
0GJ  A 245 (-3.1A)
0GJ  A 245 (-3.4A)
0GJ  A 245 (-1.4A)
None
0GJ  A 245 (-3.5A)
0GJ  A 245 (-3.8A)
0GJ  A 245 ( 4.2A)
None
 0.47A 2w26A-1a5iA:
32.5		 2w26A-1a5iA:
35.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2W26_A_RIVA1001_1
(ACTIVATED FACTOR XA
HEAVY CHAIN)		 2oq5 TRANSMEMBRANE
PROTEASE, SERINE 11E
(Homo
sapiens) 		8 / 12 ASP A 189
ALA A 190
SER A 195
VAL A 213
TRP A 215
GLY A 216
GLY A 226
TYR A 228
 BEN  A 245 (-3.0A)
BEN  A 245 (-3.9A)
BEN  A 245 (-3.3A)
None
None
BEN  A 245 ( 3.8A)
BEN  A 245 (-3.4A)
None
 0.35A 2w26A-2oq5A:
35.7		 2w26A-2oq5A:
34.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WA2_B_SAMB1267_1
(NON-STRUCTURAL
PROTEIN 5)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN
(Escherichia
coli;
Escherichia
coli) 		3 / 3 SER B 120
HIS B 112
ASP A 772
 None
None
MD1  A1245 (-2.7A)
 0.73A 2wa2B-3egwB:
undetectable		 2wa2B-3egwB:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X91_A_LPRA1615_1
(ANGIOTENSIN
CONVERTING ENZYME)		 1zkp HYPOTHETICAL PROTEIN
BA1088
(Bacillus
anthracis) 		5 / 12 HIS A 211
GLU A 175
HIS A 189
HIS A  59
VAL A 136
 ZN  A 246 (-3.2A)
None
None
ZN  A 245 (-3.3A)
None
 1.24A 2x91A-1zkpA:
undetectable		 2x91A-1zkpA:
18.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y69_N_CHDN1517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1zkp HYPOTHETICAL PROTEIN
BA1088
(Bacillus
anthracis) 		4 / 8 LEU A 207
HIS A  64
THR A 210
HIS A 134
 None
ZN  A 246 (-3.2A)
None
ZN  A 245 (-3.3A)
 1.22A 2y69C-1zkpA:
undetectable
2y69N-1zkpA:
undetectable
2y69P-1zkpA:
undetectable		 2y69C-1zkpA:
21.53
2y69N-1zkpA:
20.61
2y69P-1zkpA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZAX_A_CAMA422_0
(CYTOCHROME P450-CAM)		 4yzr POLYKETIDE
BIOSYNTHESIS
CYTOCHROME P450 PKSS
(Bacillus
subtilis) 		4 / 7 LEU A 237
VAL A 240
THR A 245
VAL A 288
 LEU  A 237 ( 0.6A)
VAL  A 240 ( 0.5A)
THR  A 245 ( 0.8A)
VAL  A 288 ( 0.6A)
 0.85A 2zaxA-4yzrA:
42.5		 2zaxA-4yzrA:
27.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A6J_A_CRNA303_1
(CREATININE
AMIDOHYDROLASE)		 2wjf TYROSINE-PROTEIN
PHOSPHATASE CPSB
(Streptococcus
pneumoniae) 		5 / 8 GLU A  80
HIS A   7
ASP A 199
HIS A 136
HIS A  42
 MN  A1246 (-2.4A)
MN  A1246 ( 3.3A)
MN  A1246 ( 2.8A)
MN  A1245 ( 3.5A)
MN  A1247 ( 3.3A)
 1.14A 3a6jA-2wjfA:
undetectable		 3a6jA-2wjfA:
22.66
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.
3A6J_B_CRNB304_1
(CREATININE
AMIDOHYDROLASE)		 2wjf TYROSINE-PROTEIN
PHOSPHATASE CPSB
(Streptococcus
pneumoniae) 		5 / 7 GLU A  80
HIS A   7
ASP A 199
HIS A 136
HIS A  42
 MN  A1246 (-2.4A)
MN  A1246 ( 3.3A)
MN  A1246 ( 2.8A)
MN  A1245 ( 3.5A)
MN  A1247 ( 3.3A)
 1.12A 3a6jB-2wjfA:
undetectable		 3a6jB-2wjfA:
22.66
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.
3A6J_C_CRNC305_1
(CREATININE
AMIDOHYDROLASE)		 2wjf TYROSINE-PROTEIN
PHOSPHATASE CPSB
(Streptococcus
pneumoniae) 		5 / 8 GLU A  80
HIS A   7
ASP A 199
HIS A 136
HIS A  42
 MN  A1246 (-2.4A)
MN  A1246 ( 3.3A)
MN  A1246 ( 2.8A)
MN  A1245 ( 3.5A)
MN  A1247 ( 3.3A)
 1.11A 3a6jC-2wjfA:
undetectable		 3a6jC-2wjfA:
22.66
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.
3A6J_E_CRNE306_1
(CREATININE
AMIDOHYDROLASE)		 2wjf TYROSINE-PROTEIN
PHOSPHATASE CPSB
(Streptococcus
pneumoniae) 		5 / 8 GLU A  80
HIS A   7
ASP A 199
HIS A 136
HIS A  42
 MN  A1246 (-2.4A)
MN  A1246 ( 3.3A)
MN  A1246 ( 2.8A)
MN  A1245 ( 3.5A)
MN  A1247 ( 3.3A)
 1.15A 3a6jE-2wjfA:
undetectable		 3a6jE-2wjfA:
22.66
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.
3A6J_F_CRNF307_1
(CREATININE
AMIDOHYDROLASE)		 2wjf TYROSINE-PROTEIN
PHOSPHATASE CPSB
(Streptococcus
pneumoniae) 		5 / 8 GLU A  80
HIS A   7
ASP A 199
HIS A 136
HIS A  42
 MN  A1246 (-2.4A)
MN  A1246 ( 3.3A)
MN  A1246 ( 2.8A)
MN  A1245 ( 3.5A)
MN  A1247 ( 3.3A)
 1.11A 3a6jF-2wjfA:
undetectable		 3a6jF-2wjfA:
22.66
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.
3AG4_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
(Escherichia
coli) 		3 / 3 HIS A1098
HIS A1092
HIS A1163
 MD1  A1245 ( 3.5A)
MGD  A1246 ( 3.7A)
MD1  A1245 (-3.4A)
 0.74A 3ag4A-3egwA:
undetectable		 3ag4A-3egwA:
16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG4_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
(Escherichia
coli) 		3 / 3 HIS A1098
HIS A1092
HIS A1163
 MD1  A1245 ( 3.5A)
MGD  A1246 ( 3.7A)
MD1  A1245 (-3.4A)
 0.75A 3ag4N-3egwA:
undetectable		 3ag4N-3egwA:
16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASO_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1zkp HYPOTHETICAL PROTEIN
BA1088
(Bacillus
anthracis) 		4 / 8 HIS A  64
THR A 210
HIS A 134
LEU A 207
 ZN  A 246 (-3.2A)
None
ZN  A 245 (-3.3A)
None
 1.18A 3asoA-1zkpA:
undetectable
3asoC-1zkpA:
undetectable
3asoP-1zkpA:
undetectable		 3asoA-1zkpA:
20.61
3asoC-1zkpA:
21.53
3asoP-1zkpA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_A_SHHA301_1
(HISTONE DEACETYLASE
7A)		 1zkp HYPOTHETICAL PROTEIN
BA1088
(Bacillus
anthracis) 		4 / 5 HIS A 134
HIS A 189
HIS A 211
ASP A  63
 ZN  A 245 (-3.3A)
None
ZN  A 246 (-3.2A)
ZN  A 246 (-2.7A)
 1.17A 3c0zA-1zkpA:
undetectable		 3c0zA-1zkpA:
20.60
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.
3C0Z_C_SHHC301_1
(HISTONE DEACETYLASE
7A)		 1zkp HYPOTHETICAL PROTEIN
BA1088
(Bacillus
anthracis) 		5 / 6 ASP A  96
HIS A  64
HIS A  59
ASP A  63
HIS A  61
 None
ZN  A 246 (-3.2A)
ZN  A 245 (-3.3A)
ZN  A 246 (-2.7A)
ZN  A 245 (-3.1A)
 1.42A 3c0zC-1zkpA:
undetectable		 3c0zC-1zkpA:
20.60
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.
3CLA_A_CLMA221_0
(TYPE III
CHLORAMPHENICOL
ACETYLTRANSFERASE)		 1a5i PLASMINOGEN
ACTIVATOR
(Desmodus
rotundus) 		5 / 9 ALA A 190
SER A 139
LEU A 209
VAL A 231
ILE A  45
 0GJ  A 245 (-3.4A)
None
None
None
None
 1.39A 3claA-1a5iA:
0.0		 3claA-1a5iA:
19.63
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.
3CSJ_B_CBLB211_0
(GLUTATHIONE
S-TRANSFERASE P)		 4uqm URACIL-DNA
GLYCOSYLASE
(Deinococcus
radiodurans) 		5 / 9 TYR A  85
VAL A  98
ILE A 111
TYR A 112
GLY A 128
 CL  A1245 (-4.3A)
None
None
None
None
 1.19A 3csjB-4uqmA:
undetectable		 3csjB-4uqmA:
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.
3D91_A_REMA350_2
(RENIN)		 1lqt FPRA
(Mycobacterium
tuberculosis) 		4 / 5 ALA A 103
ALA A  99
TYR A  97
MET A  34
 FAD  A2457 (-4.9A)
None
None
None
 1.28A 3d91A-1lqtA:
0.0		 3d91A-1lqtA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EL0_A_1UNA201_2
(PROTEASE)		 1fuj PR3
(Homo
sapiens) 		5 / 9 VAL A 121
ILE A 200
GLY A 211
PRO A 124
ILE A  47
 None
FUC  A 245 (-4.3A)
None
None
None
 0.93A 3el0B-1fujA:
undetectable		 3el0B-1fujA:
19.31
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.
3ELZ_C_CHDC150_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 3h7j BACILYSIN
BIOSYNTHESIS PROTEIN
BACB
(Bacillus
subtilis) 		5 / 12 GLN A 168
THR A 180
VAL A 181
ILE A 152
TYR A 177
 CO  A 245 ( 2.7A)
None
None
None
None
 1.38A 3elzC-3h7jA:
undetectable		 3elzC-3h7jA:
20.09
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.
3FWG_B_CAMB420_0
(CAMPHOR
5-MONOOXYGENASE)		 4yzr POLYKETIDE
BIOSYNTHESIS
CYTOCHROME P450 PKSS
(Bacillus
subtilis) 		4 / 7 LEU A 237
VAL A 240
THR A 245
VAL A 288
 LEU  A 237 ( 0.6A)
VAL  A 240 ( 0.5A)
THR  A 245 ( 0.8A)
VAL  A 288 ( 0.6A)
 0.80A 3fwgB-4yzrA:
42.5		 3fwgB-4yzrA:
28.03
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.
3FWI_A_CAMA420_0
(CAMPHOR
5-MONOOXYGENASE)		 4yzr POLYKETIDE
BIOSYNTHESIS
CYTOCHROME P450 PKSS
(Bacillus
subtilis) 		4 / 7 LEU A 237
VAL A 240
THR A 245
VAL A 288
 LEU  A 237 ( 0.6A)
VAL  A 240 ( 0.5A)
THR  A 245 ( 0.8A)
VAL  A 288 ( 0.6A)
 0.89A 3fwiA-4yzrA:
42.1		 3fwiA-4yzrA:
27.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		 1a5i PLASMINOGEN
ACTIVATOR
(Desmodus
rotundus) 		7 / 11 HIS A  57
ASP A 189
GLN A 192
SER A 195
TRP A 215
GLY A 216
GLY A 226
 0GJ  A 245 (-2.7A)
0GJ  A 245 (-3.1A)
0GJ  A 245 (-3.5A)
0GJ  A 245 (-1.4A)
None
0GJ  A 245 (-3.5A)
0GJ  A 245 ( 4.2A)
 0.57A 3gy3A-1a5iA:
11.4		 3gy3A-1a5iA:
37.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		 2oq5 TRANSMEMBRANE
PROTEASE, SERINE 11E
(Homo
sapiens) 		7 / 11 HIS A  57
ASP A 189
GLN A 192
SER A 195
TRP A 215
GLY A 216
GLY A 226
 None
BEN  A 245 (-3.0A)
BEN  A 245 (-4.4A)
BEN  A 245 (-3.3A)
None
BEN  A 245 ( 3.8A)
BEN  A 245 (-3.4A)
 0.40A 3gy3A-2oq5A:
14.2		 3gy3A-2oq5A:
37.80
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.
3HAV_C_SRYC403_1
(AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
(Escherichia
coli) 		5 / 12 ASN A 545
ASP A 222
ASN A  52
SER A 719
ASN A1217
 None
6MO  A1247 (-2.1A)
MGD  A1246 ( 3.6A)
MD1  A1245 (-3.0A)
MD1  A1245 (-3.0A)
 1.27A 3havC-3egwA:
1.2		 3havC-3egwA:
12.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IK6_B_HCZB800_1
(GLUTAMATE RECEPTOR 2)		 1a5i PLASMINOGEN
ACTIVATOR
(Desmodus
rotundus) 		5 / 10 LEU A 209
ILE A  45
SER A 195
SER A 214
GLY A 196
 None
None
0GJ  A 245 (-1.4A)
None
None
 1.33A 3ik6B-1a5iA:
undetectable
3ik6E-1a5iA:
undetectable		 3ik6B-1a5iA:
20.79
3ik6E-1a5iA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_K_TFPK202_1
(PROTEIN S100-A4)		 1jxn ANTI-H(O) LECTIN I
(Ulex
europaeus) 		5 / 12 PHE A  92
ASP A  87
PHE A 110
ASP A 137
SER A 152
 None
MFU  A 501 (-3.1A)
None
MN  A 245 ( 2.7A)
MN  A 245 ( 4.3A)
 1.22A 3ko0K-1jxnA:
undetectable
3ko0L-1jxnA:
undetectable
3ko0S-1jxnA:
undetectable
3ko0T-1jxnA:
undetectable		 3ko0K-1jxnA:
21.25
3ko0L-1jxnA:
21.25
3ko0S-1jxnA:
21.25
3ko0T-1jxnA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LOQ_A_ACTA277_0
(UNIVERSAL STRESS
PROTEIN)		 1wqa PHOSPHO-SUGAR MUTASE
(Pyrococcus
horikoshii) 		3 / 3 ASP A 245
SER A 101
ARG A 248
 ASP  A 245 (-0.6A)
SER  A 101 (-0.0A)
ARG  A 248 (-0.6A)
 0.88A 3loqA-1wqaA:
2.5		 3loqA-1wqaA:
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.
3MTE_B_SAMB220_0
(16S RRNA METHYLASE)		 3ghg FIBRINOGEN GAMMA
CHAIN
(Homo
sapiens) 		5 / 12 GLY C 284
ALA C 263
ALA C 245
THR C 393
LEU C 392
 GLY  C 284 ( 0.0A)
ALA  C 263 ( 0.0A)
ALA  C 245 ( 0.0A)
THR  C 393 ( 0.8A)
LEU  C 392 ( 0.5A)
 1.02A 3mteB-3ghgC:
undetectable		 3mteB-3ghgC:
18.92
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.
3N2O_D_AG2D1002_1
(BIOSYNTHETIC
ARGININE
DECARBOXYLASE)		 3tlx ADENYLATE KINASE 2
(Plasmodium
falciparum) 		5 / 10 ASP A  61
SER A  58
GLY A  42
ARG A 155
ASP A 190
 None
AMP  A 245 ( 4.9A)
ADP  A 246 (-3.5A)
ADP  A 246 (-3.2A)
None
 1.41A 3n2oC-3tlxA:
undetectable
3n2oD-3tlxA:
undetectable		 3n2oC-3tlxA:
17.28
3n2oD-3tlxA:
17.28
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.
3N9J_A_EAAA210_1
(GLUTATHIONE
S-TRANSFERASE P)		 4uqm URACIL-DNA
GLYCOSYLASE
(Deinococcus
radiodurans) 		5 / 8 TYR A  85
VAL A  98
ILE A 111
TYR A 112
GLY A 128
 CL  A1245 (-4.3A)
None
None
None
None
 1.17A 3n9jA-4uqmA:
undetectable		 3n9jA-4uqmA:
23.88
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.
3NJZ_A_SALA370_1
(GENTISATE
1,2-DIOXYGENASE)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
(Escherichia
coli) 		5 / 12 HIS A1163
HIS A1098
HIS A1092
HIS A 546
ILE A 191
 MD1  A1245 (-3.4A)
MD1  A1245 ( 3.5A)
MGD  A1246 ( 3.7A)
MD1  A1245 (-4.0A)
None
 1.30A 3njzA-3egwA:
undetectable		 3njzA-3egwA:
15.60
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.
3NVK_I_SAMI228_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 5xlu GAMMA GLUTAMYL
TRANSPEPTIDASE
(Bacillus
licheniformis) 		5 / 12 ALA A 235
ILE A 245
ASP A 247
ALA A 246
ASP A 238
 ALA  A 235 ( 0.0A)
ILE  A 245 ( 0.6A)
ASP  A 247 ( 0.6A)
ALA  A 246 ( 0.0A)
ASP  A 238 ( 0.5A)
 1.10A 3nvkI-5xluA:
undetectable		 3nvkI-5xluA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PCQ_B_PQNB842_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 3cql ENDOCHITINASE
(Carica
papaya) 		5 / 11 PHE A  34
ILE A 117
ALA A 154
LEU A 155
ALA A  37
 None
NAG  A 245 (-4.3A)
None
None
None
 1.10A 3pcqB-3cqlA:
undetectable		 3pcqB-3cqlA:
16.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QJ7_A_SPMA264_1
(THYMIDYLATE SYNTHASE)		 1cyd CARBONYL REDUCTASE
(Mus
musculus) 		4 / 8 GLN A 113
LEU A  61
ASP A  63
ASP A  65
 None
NDP  A 245 (-3.8A)
None
None
 1.01A 3qj7A-1cydA:
0.0
3qj7D-1cydA:
0.0		 3qj7A-1cydA:
22.33
3qj7D-1cydA:
22.33
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.
3RAE_F_LFXF101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)		 2x8u SERINE
PALMITOYLTRANSFERASE
(Sphingomonas
wittichii) 		3 / 4 SER A 306
GLY A 215
GLU A 182
 None
None
PLP  A1245 (-4.0A)
 0.66A 3raeA-2x8uA:
undetectable
3raeC-2x8uA:
undetectable		 3raeA-2x8uA:
23.30
3raeC-2x8uA:
21.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RXF_A_4APA9_1
(CATIONIC TRYPSIN)		 1a5i PLASMINOGEN
ACTIVATOR
(Desmodus
rotundus) 		4 / 6 SER A 195
TRP A 215
GLY A 216
GLY A 226
 0GJ  A 245 (-1.4A)
None
0GJ  A 245 (-3.5A)
0GJ  A 245 ( 4.2A)
 0.35A 3rxfA-1a5iA:
11.4		 3rxfA-1a5iA:
37.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RXF_A_4APA9_1
(CATIONIC TRYPSIN)		 2oq5 TRANSMEMBRANE
PROTEASE, SERINE 11E
(Homo
sapiens) 		5 / 6 SER A 195
VAL A 213
TRP A 215
GLY A 216
GLY A 226
 BEN  A 245 (-3.3A)
None
None
BEN  A 245 ( 3.8A)
BEN  A 245 (-3.4A)
 0.20A 3rxfA-2oq5A:
14.9		 3rxfA-2oq5A:
37.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RXH_A_HSMA7_1
(CATIONIC TRYPSIN)		 2oq5 TRANSMEMBRANE
PROTEASE, SERINE 11E
(Homo
sapiens) 		4 / 5 ASP A 189
SER A 195
VAL A 213
GLY A 226
 BEN  A 245 (-3.0A)
BEN  A 245 (-3.3A)
None
BEN  A 245 (-3.4A)
 0.29A 3rxhA-2oq5A:
14.5		 3rxhA-2oq5A:
37.80
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.
3S8P_B_SAMB500_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 1zkp HYPOTHETICAL PROTEIN
BA1088
(Bacillus
anthracis) 		3 / 3 HIS A  61
SER A  20
ASN A 177
 ZN  A 245 (-3.1A)
ZN  A 246 ( 4.8A)
None
 0.85A 3s8pB-1zkpA:
undetectable		 3s8pB-1zkpA:
19.23
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.
3SI7_B_ACTB4_0
(CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR)		 1vpl ABC TRANSPORTER,
ATP-BINDING PROTEIN
(Thermotoga
maritima) 		3 / 3 GLY A  39
GLY A  41
THR A  43
 SO4  A 245 (-3.5A)
SO4  A 245 (-3.3A)
SO4  A 245 (-3.9A)
 0.44A 3si7B-1vplA:
17.3		 3si7B-1vplA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T01_A_PPFA503_1
(PHOSPHONOACETATE
HYDROLASE)		 1a5i PLASMINOGEN
ACTIVATOR
(Desmodus
rotundus) 		4 / 7 THR A 229
ASP A 102
HIS A  57
ILE A 213
 None
None
0GJ  A 245 (-2.7A)
None
 0.98A 3t01A-1a5iA:
undetectable		 3t01A-1a5iA:
20.67
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.
3UBO_A_ADNA353_1
(ADENOSINE KINASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		6 / 12 ASP A  34
GLY A 111
GLY A 112
ARG A 197
GLY A 437
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
AMP  A1456 ( 4.3A)
BGC  A2457 ( 4.0A)
BGC  A2457 ( 2.7A)
 0.61A 3uboA-1ua4A:
24.3		 3uboA-1ua4A:
24.44
Potential target for repurposing, i.e. matched protein structure has less than 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_A_ADNA401_1
(ADENOSINE KINASE,
PUTATIVE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
GLY A 437
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
BGC  A2457 ( 4.0A)
BGC  A2457 ( 2.7A)
 0.46A 3uq6A-1ua4A:
24.3		 3uq6A-1ua4A:
23.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VAQ_A_ADNA401_1
(PUTATIVE ADENOSINE
KINASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
GLY A 437
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
BGC  A2457 ( 4.0A)
BGC  A2457 ( 2.7A)
 0.51A 3vaqA-1ua4A:
24.3		 3vaqA-1ua4A:
23.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VAS_A_ADNA401_1
(PUTATIVE ADENOSINE
KINASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
GLY A 437
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
BGC  A2457 ( 4.0A)
BGC  A2457 ( 2.7A)
 0.49A 3vasA-1ua4A:
24.4		 3vasA-1ua4A:
23.09
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.
3VAS_B_ADNB401_1
(PUTATIVE ADENOSINE
KINASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
GLY A 437
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
BGC  A2457 ( 4.0A)
BGC  A2457 ( 2.7A)
 0.54A 3vasB-1ua4A:
22.3		 3vasB-1ua4A:
23.09
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.
3VT7_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
(Escherichia
coli) 		5 / 12 LEU A 716
SER A 714
SER A 607
HIS A1184
HIS A1163
 None
MD1  A1245 (-3.9A)
None
MD1  A1245 ( 4.6A)
MD1  A1245 (-3.4A)
 1.40A 3vt7A-3egwA:
undetectable		 3vt7A-3egwA:
12.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WG7_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1zkp HYPOTHETICAL PROTEIN
BA1088
(Bacillus
anthracis) 		4 / 8 HIS A  64
THR A 210
HIS A 134
LEU A 207
 ZN  A 246 (-3.2A)
None
ZN  A 245 (-3.3A)
None
 1.23A 3wg7A-1zkpA:
undetectable
3wg7C-1zkpA:
undetectable
3wg7P-1zkpA:
undetectable		 3wg7A-1zkpA:
20.61
3wg7C-1zkpA:
21.53
3wg7P-1zkpA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WG7_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1zkp HYPOTHETICAL PROTEIN
BA1088
(Bacillus
anthracis) 		4 / 8 LEU A 207
HIS A  64
THR A 210
HIS A 134
 None
ZN  A 246 (-3.2A)
None
ZN  A 245 (-3.3A)
 1.24A 3wg7C-1zkpA:
undetectable
3wg7N-1zkpA:
undetectable
3wg7P-1zkpA:
undetectable		 3wg7C-1zkpA:
21.53
3wg7N-1zkpA:
20.61
3wg7P-1zkpA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WIP_G_ACHG301_0
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 5xyi RIBOSOMAL PROTEIN
S3, PUTATIVE
PLECTIN/S10 DOMAIN
CONTAINING PROTEIN
(Trichomonas
vaginalis;
Trichomonas
vaginalis) 		4 / 8 TYR K  42
TYR K  65
ARG D  28
LEU D  25
 None
None
A  21245 ( 3.9A)
None
 1.08A 3wipG-5xyiK:
undetectable
3wipH-5xyiK:
undetectable		 3wipG-5xyiK:
21.98
3wipH-5xyiK:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WIP_J_ACHJ301_0
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 5xyi RIBOSOMAL PROTEIN
S3, PUTATIVE
PLECTIN/S10 DOMAIN
CONTAINING PROTEIN
(Trichomonas
vaginalis;
Trichomonas
vaginalis) 		4 / 8 ARG D  28
LEU D  25
TYR K  42
TYR K  65
 A  21245 ( 3.9A)
None
None
None
 1.09A 3wipF-5xyiD:
undetectable
3wipJ-5xyiD:
undetectable		 3wipF-5xyiD:
20.66
3wipJ-5xyiD:
20.66
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.
4A9J_A_TYLA1188_1
(BROMODOMAIN
CONTAINING 2)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
(Escherichia
coli) 		4 / 5 VAL A 769
LEU A 786
LEU A 771
ILE A 829
 None
None
MD1  A1245 (-4.2A)
None
 0.90A 4a9jA-3egwA:
undetectable		 4a9jA-3egwA:
7.65
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.
4AC9_C_DXCC1475_0
(MJ0495-LIKE PROTEIN)		 1lqt FPRA
(Mycobacterium
tuberculosis) 		5 / 8 ILE A 348
ILE A 341
PHE A 334
VAL A 104
GLY A 326
 None
None
None
FAD  A2457 (-3.8A)
None
 1.46A 4ac9C-1lqtA:
undetectable		 4ac9C-1lqtA:
23.80
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.
4ACA_C_DXCC1477_0
(TRANSLATION
ELONGATION FACTOR
SELB)		 3j7y BL17
(Homo
sapiens) 		4 / 6 GLY O  35
ARG O 113
ILE O  42
LEU O  33
 A  A2319 ( 3.5A)
G  A2454 ( 4.6A)
A  A2319 ( 3.9A)
None
 1.01A 4acaC-3j7yO:
undetectable		 4acaC-3j7yO:
17.72
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.
4ACB_C_DXCC1477_0
(TRANSLATION
ELONGATION FACTOR
SELB)		 3j7y BL17
(Homo
sapiens) 		4 / 6 GLY O  35
ARG O 113
ILE O  42
LEU O  33
 A  A2319 ( 3.5A)
G  A2454 ( 4.6A)
A  A2319 ( 3.9A)
None
 1.01A 4acbC-3j7yO:
undetectable		 4acbC-3j7yO:
17.72
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.
4B3Q_A_NVPA999_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
(Escherichia
coli) 		4 / 7 LEU A 716
LYS A 722
TYR A 610
LEU A 731
 None
MD1  A1245 (-3.2A)
None
None
 1.09A 4b3qA-3egwA:
undetectable		 4b3qA-3egwA:
18.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C1D_B_X8ZB350_1
(BETA-LACTAMASE CLASS
B VIM-2)		 1zkp HYPOTHETICAL PROTEIN
BA1088
(Bacillus
anthracis) 		5 / 10 HIS A  59
HIS A  61
ASP A  63
HIS A 134
HIS A 211
 ZN  A 245 (-3.3A)
ZN  A 245 (-3.1A)
ZN  A 246 (-2.7A)
ZN  A 245 (-3.3A)
ZN  A 246 (-3.2A)
 0.73A 4c1dB-1zkpA:
9.6		 4c1dB-1zkpA:
24.58
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.
4C1F_A_X8ZA300_1
(BETA-LACTAMASE IMP-1)		 1zkp HYPOTHETICAL PROTEIN
BA1088
(Bacillus
anthracis) 		5 / 11 HIS A  59
HIS A  61
ASP A  63
HIS A 134
HIS A 211
 ZN  A 245 (-3.3A)
ZN  A 245 (-3.1A)
ZN  A 246 (-2.7A)
ZN  A 245 (-3.3A)
ZN  A 246 (-3.2A)
 0.74A 4c1fA-1zkpA:
3.0
4c1fB-1zkpA:
4.7		 4c1fA-1zkpA:
20.36
4c1fB-1zkpA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C1H_A_X8ZA305_1
(BETA-LACTAMASE 2)		 1zkp HYPOTHETICAL PROTEIN
BA1088
(Bacillus
anthracis) 		5 / 9 HIS A  59
HIS A  61
ASP A  63
HIS A 134
HIS A 211
 ZN  A 245 (-3.3A)
ZN  A 245 (-3.1A)
ZN  A 246 (-2.7A)
ZN  A 245 (-3.3A)
ZN  A 246 (-3.2A)
 0.72A 4c1hA-1zkpA:
10.6		 4c1hA-1zkpA:
24.19
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.
4D1Y_A_RBFA1176_1
(PUTATIVE PROTEASE I)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		4 / 8 GLN A 113
GLN A 235
ASN A 206
THR A 207
 GLC  A1457 ( 2.8A)
BGC  A2457 ( 4.9A)
None
None
 1.33A 4d1yA-1ua4A:
5.0
4d1yB-1ua4A:
4.7		 4d1yA-1ua4A:
19.35
4d1yB-1ua4A:
19.35
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.
4DC3_B_2FAB401_1
(ADENOSINE KINASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
GLY A 437
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
BGC  A2457 ( 4.0A)
BGC  A2457 ( 2.7A)
 0.49A 4dc3B-1ua4A:
24.4		 4dc3B-1ua4A:
23.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E3A_B_ADNB500_1
(SUGAR KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
GLY A 437
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
BGC  A2457 ( 4.0A)
BGC  A2457 ( 2.7A)
 0.38A 4e3aB-1ua4A:
24.6		 4e3aB-1ua4A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		 1zkp HYPOTHETICAL PROTEIN
BA1088
(Bacillus
anthracis) 		4 / 8 HIS A  61
ASP A  63
HIS A 134
HIS A 211
 ZN  A 245 (-3.1A)
ZN  A 246 (-2.7A)
ZN  A 245 (-3.3A)
ZN  A 246 (-3.2A)
 0.70A 4exsB-1zkpA:
10.0		 4exsB-1zkpA:
24.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4F84_A_SAMA501_0
(GERANYL DIPHOSPHATE
2-C-METHYLTRANSFERAS
E)		 1cyd CARBONYL REDUCTASE
(Mus
musculus) 		5 / 12 GLY A  14
GLY A  16
VAL A  37
THR A  38
VAL A 106
 NDP  A 245 (-3.0A)
NDP  A 245 (-3.7A)
None
NDP  A 245 (-4.0A)
NDP  A 245 (-4.2A)
 0.98A 4f84A-1cydA:
6.6		 4f84A-1cydA:
24.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FU8_A_ACTA302_0
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		 1a5i PLASMINOGEN
ACTIVATOR
(Desmodus
rotundus) 		4 / 5 HIS A  57
GLN A 192
GLY A 193
SER A 195
 0GJ  A 245 (-2.7A)
0GJ  A 245 (-3.5A)
0GJ  A 245 (-3.7A)
0GJ  A 245 (-1.4A)
 0.86A 4fu8A-1a5iA:
35.9		 4fu8A-1a5iA:
40.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FU8_A_ACTA302_0
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		 1a5i PLASMINOGEN
ACTIVATOR
(Desmodus
rotundus) 		4 / 5 HIS A  57
TYR A 151
GLY A 193
SER A 195
 0GJ  A 245 (-2.7A)
None
0GJ  A 245 (-3.7A)
0GJ  A 245 (-1.4A)
 0.49A 4fu8A-1a5iA:
35.9		 4fu8A-1a5iA:
40.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FU8_A_ACTA302_0
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		 2oq5 TRANSMEMBRANE
PROTEASE, SERINE 11E
(Homo
sapiens) 		4 / 5 HIS A  57
GLN A 192
GLY A 193
SER A 195
 None
BEN  A 245 (-4.4A)
None
BEN  A 245 (-3.3A)
 0.75A 4fu8A-2oq5A:
36.6		 4fu8A-2oq5A:
35.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HFP_D_15UD402_1
(PROTHROMBIN)		 1a5i PLASMINOGEN
ACTIVATOR
(Desmodus
rotundus) 		5 / 12 HIS A  57
ASP A 189
ALA A 190
TRP A 215
GLY A 226
 0GJ  A 245 (-2.7A)
0GJ  A 245 (-3.1A)
0GJ  A 245 (-3.4A)
None
0GJ  A 245 ( 4.2A)
 0.31A 4hfpD-1a5iA:
32.8		 4hfpD-1a5iA:
32.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HFP_D_15UD402_1
(PROTHROMBIN)		 2oq5 TRANSMEMBRANE
PROTEASE, SERINE 11E
(Homo
sapiens) 		6 / 12 HIS A  57
ASP A 189
ALA A 190
VAL A 213
TRP A 215
GLY A 226
 None
BEN  A 245 (-3.0A)
BEN  A 245 (-3.9A)
None
None
BEN  A 245 (-3.4A)
 0.28A 4hfpD-2oq5A:
34.5		 4hfpD-2oq5A:
36.92
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.
4HXY_B_ACAB502_1
(PLM1)		 1cyd CARBONYL REDUCTASE
(Mus
musculus) 		4 / 7 VAL A  87
SER A 136
TYR A 149
MET A 186
 None
IPA  A 246 ( 2.7A)
IPA  A 246 ( 4.4A)
NDP  A 245 (-3.6A)
 0.40A 4hxyB-1cydA:
19.2		 4hxyB-1cydA:
21.31
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.
4IAQ_A_2GMA2001_2
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 1B AND E.
COLI SOLUBLE
CYTOCHROME B562)		 3cir FUMARATE REDUCTASE
IRON-SULFUR SUBUNIT
(Escherichia
coli) 		4 / 6 TRP B 202
ILE B 224
THR B 174
SER B 211
 None
F3S  B 245 ( 4.5A)
None
None
 1.10A 4iaqA-3cirB:
undetectable		 4iaqA-3cirB:
20.30
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.
4J7U_D_YTZD802_1
(SEPIAPTERIN
REDUCTASE)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
(Escherichia
coli) 		4 / 8 SER A 215
LEU A 214
PHE A 611
PRO A 190
 None
None
None
MD1  A1245 (-4.5A)
 1.11A 4j7uD-3egwA:
2.5		 4j7uD-3egwA:
12.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JKS_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.39A 4jksA-1ua4A:
24.6		 4jksA-1ua4A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JKS_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.39A 4jksB-1ua4A:
24.5		 4jksB-1ua4A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JKU_A_ADNA500_1
(PROBABLE SUGAR
KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.39A 4jkuA-1ua4A:
24.6		 4jkuA-1ua4A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K0B_B_SAMB504_0
(S-ADENOSYLMETHIONINE
SYNTHASE)		 1tj5 SUCROSE-PHOSPHATASE
(Synechocystis
sp.
PCC
6803) 		4 / 8 ARG A  43
ASP A 190
ASP A 155
ILE A 147
 SUC  A 245 (-4.9A)
MG  A 247 (-2.9A)
SUC  A 245 (-2.8A)
None
 1.05A 4k0bA-1tj5A:
undetectable		 4k0bA-1tj5A:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8C_A_ADNA401_1
(SUGAR KINASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.39A 4k8cA-1ua4A:
24.6		 4k8cA-1ua4A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8C_B_ADNB401_1
(SUGAR KINASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.38A 4k8cB-1ua4A:
24.6		 4k8cB-1ua4A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8K_A_ADNA401_1
(SUGAR KINASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.40A 4k8kA-1ua4A:
24.6		 4k8kA-1ua4A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8K_B_ADNB403_1
(SUGAR KINASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.40A 4k8kB-1ua4A:
24.6		 4k8kB-1ua4A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAH_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.39A 4kahA-1ua4A:
24.6		 4kahA-1ua4A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAH_B_ADNB502_1
(PROBABLE SUGAR
KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.38A 4kahB-1ua4A:
24.6		 4kahB-1ua4A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAL_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.39A 4kalA-1ua4A:
24.6		 4kalA-1ua4A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAL_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.40A 4kalB-1ua4A:
24.6		 4kalB-1ua4A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAN_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.38A 4kanA-1ua4A:
24.6		 4kanA-1ua4A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAN_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.38A 4kanB-1ua4A:
24.5		 4kanB-1ua4A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KBE_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.38A 4kbeA-1ua4A:
24.5		 4kbeA-1ua4A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KBE_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.37A 4kbeB-1ua4A:
24.6		 4kbeB-1ua4A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KLR_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 8 LEU A 145
ARG A 109
SER A 445
VAL A 436
GLY A 437
 None
None
None
BGC  A2457 ( 4.9A)
BGC  A2457 ( 4.0A)
 1.22A 4klrB-1ua4A:
2.3		 4klrB-1ua4A:
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.
4KM0_B_CP6B201_1
(DIHYDROFOLATE
REDUCTASE)		 2vd9 ALANINE RACEMASE
(Bacillus
anthracis) 		5 / 12 ILE A  36
ALA A  56
ILE A  19
LEU A 246
ILE A  26
 None
None
None
MLY  A 245 ( 4.1A)
MLY  A  27 ( 3.7A)
 0.87A 4km0B-2vd9A:
undetectable		 4km0B-2vd9A:
18.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L7I_B_SAMB501_0
(S-ADENOSYLMETHIONINE
SYNTHASE)		 1tj5 SUCROSE-PHOSPHATASE
(Synechocystis
sp.
PCC
6803) 		4 / 8 ARG A  43
ASP A 190
ASP A 155
ILE A 147
 SUC  A 245 (-4.9A)
MG  A 247 (-2.9A)
SUC  A 245 (-2.8A)
None
 1.06A 4l7iA-1tj5A:
undetectable		 4l7iA-1tj5A:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L9Q_A_9TPA601_1
(SERUM ALBUMIN)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN
(Escherichia
coli) 		5 / 12 ALA B 114
ILE A1183
HIS A1184
TYR A 781
GLY A 721
 None
None
MD1  A1245 ( 4.6A)
None
None
 1.31A 4l9qA-3egwB:
undetectable		 4l9qA-3egwB:
22.78
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.
4LBG_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.39A 4lbgA-1ua4A:
24.6		 4lbgA-1ua4A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LBG_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.38A 4lbgB-1ua4A:
24.6		 4lbgB-1ua4A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LCA_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.37A 4lcaA-1ua4A:
24.6		 4lcaA-1ua4A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LCA_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.37A 4lcaB-1ua4A:
24.5		 4lcaB-1ua4A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M2X_A_TMQA202_1
(DIHYDROFOLATE
REDUCTASE)		 2vd9 ALANINE RACEMASE
(Bacillus
anthracis) 		5 / 12 ILE A  36
ALA A  56
ILE A  19
LEU A 246
ILE A  26
 None
None
None
MLY  A 245 ( 4.1A)
MLY  A  27 ( 3.7A)
 0.96A 4m2xA-2vd9A:
undetectable		 4m2xA-2vd9A:
17.39
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.
4M2X_C_TMQC202_1
(DIHYDROFOLATE
REDUCTASE)		 2vd9 ALANINE RACEMASE
(Bacillus
anthracis) 		5 / 12 ILE A  36
ALA A  56
ILE A  19
LEU A 246
ILE A  26
 None
None
None
MLY  A 245 ( 4.1A)
MLY  A  27 ( 3.7A)
 0.96A 4m2xC-2vd9A:
undetectable		 4m2xC-2vd9A:
17.39
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.
4M2X_E_TMQE202_1
(DIHYDROFOLATE
REDUCTASE)		 2vd9 ALANINE RACEMASE
(Bacillus
anthracis) 		5 / 12 ILE A  36
ALA A  56
ILE A  19
LEU A 246
ILE A  26
 None
None
None
MLY  A 245 ( 4.1A)
MLY  A  27 ( 3.7A)
 0.96A 4m2xE-2vd9A:
undetectable		 4m2xE-2vd9A:
17.39
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.
4MMC_A_29JA603_1
(TRANSPORTER)		 3tlx ADENYLATE KINASE 2
(Plasmodium
falciparum) 		5 / 10 ASP A  61
GLY A  42
SER A  58
GLY A 113
ASP A 191
 None
ADP  A 246 (-3.5A)
AMP  A 245 ( 4.9A)
AMP  A 245 (-4.1A)
None
 1.18A 4mmcA-3tlxA:
undetectable		 4mmcA-3tlxA:
17.92
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.
4OLT_A_GCSA303_1
(CHITOSANASE)		 1jxn ANTI-H(O) LECTIN I
(Ulex
europaeus) 		4 / 6 ILE A 129
GLY A 105
VAL A 150
HIS A 142
 None
MFU  A 501 (-3.1A)
None
MN  A 245 (-3.8A)
 0.90A 4oltA-1jxnA:
0.0		 4oltA-1jxnA:
22.09
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.
4OLT_B_GCSB303_1
(CHITOSANASE)		 1jxn ANTI-H(O) LECTIN I
(Ulex
europaeus) 		4 / 6 ILE A 129
GLY A 105
VAL A 150
HIS A 142
 None
MFU  A 501 (-3.1A)
None
MN  A 245 (-3.8A)
 0.92A 4oltB-1jxnA:
undetectable		 4oltB-1jxnA:
22.09
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.
4P6S_A_DAHA305_1
(TYROSINASE)		 1zkp HYPOTHETICAL PROTEIN
BA1088
(Bacillus
anthracis) 		4 / 7 HIS A  59
HIS A 189
ASN A 177
ALA A 154
 ZN  A 245 (-3.3A)
None
None
None
 0.90A 4p6sA-1zkpA:
undetectable		 4p6sA-1zkpA:
18.18
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.
4P6S_B_DAHB305_1
(TYROSINASE)		 1zkp HYPOTHETICAL PROTEIN
BA1088
(Bacillus
anthracis) 		4 / 7 HIS A 189
HIS A 211
HIS A  59
HIS A  61
 None
ZN  A 246 (-3.2A)
ZN  A 245 (-3.3A)
ZN  A 245 (-3.1A)
 0.91A 4p6sB-1zkpA:
undetectable		 4p6sB-1zkpA:
18.18
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.
4PAH_A_LNRA600_1
(PHENYLALANINE
HYDROXYLASE)		 2wjf TYROSINE-PROTEIN
PHOSPHATASE CPSB
(Streptococcus
pneumoniae) 		4 / 6 LEU A 122
HIS A 136
TYR A  82
GLU A 108
 None
MN  A1245 ( 3.5A)
None
MN  A1245 ( 2.6A)
 1.14A 4pahA-2wjfA:
undetectable		 4pahA-2wjfA:
23.73
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.
4QOP_A_HQEA503_1
(CATALASE)		 3tlx ADENYLATE KINASE 2
(Plasmodium
falciparum) 		5 / 9 ILE A  32
PHE A 109
LEU A 111
TYR A 114
LEU A 128
 None
None
None
AMP  A 245 (-4.9A)
None
 1.20A 4qopA-3tlxA:
undetectable		 4qopA-3tlxA:
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.
4QOP_B_HQEB503_1
(CATALASE)		 3tlx ADENYLATE KINASE 2
(Plasmodium
falciparum) 		5 / 9 ILE A  32
PHE A 109
LEU A 111
TYR A 114
LEU A 128
 None
None
None
AMP  A 245 (-4.9A)
None
 1.20A 4qopB-3tlxA:
undetectable		 4qopB-3tlxA:
20.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RN6_B_15UB301_1
(THROMBIN HEAVY CHAIN)		 2oq5 TRANSMEMBRANE
PROTEASE, SERINE 11E
(Homo
sapiens) 		6 / 12 HIS A  57
ALA A 190
VAL A 213
TRP A 215
GLY A 216
GLY A 226
 None
BEN  A 245 (-3.9A)
None
None
BEN  A 245 ( 3.8A)
BEN  A 245 (-3.4A)
 0.84A 4rn6B-2oq5A:
29.3		 4rn6B-2oq5A:
36.92
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.
4RP8_C_ASCC501_1
(ASCORBATE-SPECIFIC
PERMEASE IIC
COMPONENT ULAA)		 2cl8 DECTIN-1
(Mus
musculus) 		3 / 3 SER A 129
TYR A 131
ASP A 158
 CA  A1245 ( 4.8A)
None
CA  A1245 (-3.3A)
 0.81A 4rp8C-2cl8A:
undetectable		 4rp8C-2cl8A:
13.28
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.
4UIL_H_QI9H1223_0
(FAB 314.1)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
(Escherichia
coli) 		5 / 12 HIS A1184
ALA A1164
SER A1099
GLY A1182
GLY A 723
 MD1  A1245 ( 4.6A)
None
MD1  A1245 (-2.7A)
None
None
 1.24A 4uilH-3egwA:
undetectable
4uilL-3egwA:
undetectable		 4uilH-3egwA:
11.18
4uilL-3egwA:
10.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WRY_A_URFA302_1
(URACIL-DNA
GLYCOSYLASE)		 4uqm URACIL-DNA
GLYCOSYLASE
(Deinococcus
radiodurans) 		8 / 8 GLY A  81
GLN A  82
TYR A  85
SER A  95
PHE A  96
SER A 107
ASN A 142
HIS A 206
 None
GOL  A1246 (-3.0A)
CL  A1245 (-4.3A)
None
None
None
CL  A1245 (-4.0A)
None
 0.33A 4wryA-4uqmA:
34.1		 4wryA-4uqmA:
45.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WRZ_A_URFA302_1
(URACIL-DNA
GLYCOSYLASE)		 1jxn ANTI-H(O) LECTIN I
(Ulex
europaeus) 		4 / 8 GLY A 130
SER A 152
ASN A 134
HIS A 142
 CA  A 246 ( 4.4A)
MN  A 245 ( 4.3A)
MFU  A 501 ( 3.0A)
MN  A 245 (-3.8A)
 1.04A 4wrzA-1jxnA:
undetectable		 4wrzA-1jxnA:
21.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WRZ_A_URFA302_1
(URACIL-DNA
GLYCOSYLASE)		 4uqm URACIL-DNA
GLYCOSYLASE
(Deinococcus
radiodurans) 		8 / 8 GLY A  81
GLN A  82
TYR A  85
SER A  95
PHE A  96
SER A 107
ASN A 142
HIS A 206
 None
GOL  A1246 (-3.0A)
CL  A1245 (-4.3A)
None
None
None
CL  A1245 (-4.0A)
None
 0.28A 4wrzA-4uqmA:
34.3		 4wrzA-4uqmA:
45.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WS0_A_URFA301_1
(URACIL-DNA
GLYCOSYLASE)		 4uqm URACIL-DNA
GLYCOSYLASE
(Deinococcus
radiodurans) 		7 / 7 GLY A  81
GLN A  82
TYR A  85
SER A  95
PHE A  96
ASN A 142
HIS A 206
 None
GOL  A1246 (-3.0A)
CL  A1245 (-4.3A)
None
None
CL  A1245 (-4.0A)
None
 0.75A 4ws0A-4uqmA:
33.4		 4ws0A-4uqmA:
45.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WS1_A_URFA301_1
(URACIL-DNA
GLYCOSYLASE)		 4uqm URACIL-DNA
GLYCOSYLASE
(Deinococcus
radiodurans) 		8 / 8 GLY A  81
GLN A  82
TYR A  85
SER A  95
PHE A  96
SER A 107
ASN A 142
HIS A 206
 None
GOL  A1246 (-3.0A)
CL  A1245 (-4.3A)
None
None
None
CL  A1245 (-4.0A)
None
 0.71A 4ws1A-4uqmA:
33.6		 4ws1A-4uqmA:
45.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XO7_B_ASDB402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 1lqt FPRA
(Mycobacterium
tuberculosis) 		4 / 7 VAL A 327
ILE A 360
HIS A 135
LEU A  42
 None
None
None
FAD  A2457 ( 4.3A)
 1.24A 4xo7B-1lqtA:
undetectable		 4xo7B-1lqtA:
23.19
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.
4XQE_A_AG2A506_1
(HOMOSPERMIDINE
SYNTHASE)		 1wqa PHOSPHO-SUGAR MUTASE
(Pyrococcus
horikoshii) 		4 / 6 ARG A  11
ARG A  51
ASP A 245
VAL A  10
 ARG  A  11 ( 0.6A)
ARG  A  51 ( 0.6A)
ASP  A 245 (-0.6A)
VAL  A  10 ( 0.6A)
 0.92A 4xqeA-1wqaA:
undetectable		 4xqeA-1wqaA:
22.67
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.
4XQE_B_AG2B505_1
(HOMOSPERMIDINE
SYNTHASE)		 1wqa PHOSPHO-SUGAR MUTASE
(Pyrococcus
horikoshii) 		4 / 6 ARG A  11
ARG A  51
ASP A 245
VAL A  10
 ARG  A  11 ( 0.6A)
ARG  A  51 ( 0.6A)
ASP  A 245 (-0.6A)
VAL  A  10 ( 0.6A)
 0.96A 4xqeB-1wqaA:
undetectable		 4xqeB-1wqaA:
22.67
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.
4XQG_A_AG2A505_1
(HOMOSPERMIDINE
SYNTHASE)		 1wqa PHOSPHO-SUGAR MUTASE
(Pyrococcus
horikoshii) 		4 / 8 ARG A  11
ARG A  51
ASP A 245
VAL A  10
 ARG  A  11 ( 0.6A)
ARG  A  51 ( 0.6A)
ASP  A 245 (-0.6A)
VAL  A  10 ( 0.6A)
 0.97A 4xqgA-1wqaA:
undetectable		 4xqgA-1wqaA:
22.29
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.
4XQG_B_AG2B505_1
(HOMOSPERMIDINE
SYNTHASE)		 1wqa PHOSPHO-SUGAR MUTASE
(Pyrococcus
horikoshii) 		4 / 8 ARG A  11
ARG A  51
ASP A 245
VAL A  10
 ARG  A  11 ( 0.6A)
ARG  A  51 ( 0.6A)
ASP  A 245 (-0.6A)
VAL  A  10 ( 0.6A)
 0.96A 4xqgB-1wqaA:
undetectable		 4xqgB-1wqaA:
22.29
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.
5A06_A_SORA1341_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 1qx6 NPQTN SPECIFIC
SORTASE B
(Staphylococcus
aureus) 		4 / 7 ARG A 233
PHE A 114
ARG A 115
ASP A 113
 E64  A 245 (-2.3A)
E64  A 245 (-3.8A)
None
None
 1.49A 5a06A-1qx6A:
undetectable		 5a06A-1qx6A:
18.10
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.
5A06_C_SORC1341_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 1qx6 NPQTN SPECIFIC
SORTASE B
(Staphylococcus
aureus) 		4 / 7 ARG A 233
PHE A 114
ARG A 115
ASP A 113
 E64  A 245 (-2.3A)
E64  A 245 (-3.8A)
None
None
 1.48A 5a06C-1qx6A:
undetectable		 5a06C-1qx6A:
18.10
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.
5A06_F_SORF1343_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 1qx6 NPQTN SPECIFIC
SORTASE B
(Staphylococcus
aureus) 		4 / 7 ARG A 233
PHE A 114
ARG A 115
ASP A 113
 E64  A 245 (-2.3A)
E64  A 245 (-3.8A)
None
None
 1.47A 5a06F-1qx6A:
undetectable		 5a06F-1qx6A:
18.10
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.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)		 1zkp HYPOTHETICAL PROTEIN
BA1088
(Bacillus
anthracis) 		4 / 8 HIS A  61
ASP A  63
HIS A 134
HIS A 211
 ZN  A 245 (-3.1A)
ZN  A 246 (-2.7A)
ZN  A 245 (-3.3A)
ZN  A 246 (-3.2A)
 0.70A 5a5zA-1zkpA:
10.1		 5a5zA-1zkpA:
24.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AYA_A_X8ZA307_1
(METALLO-BETA-LACTAMA
SE)		 1zkp HYPOTHETICAL PROTEIN
BA1088
(Bacillus
anthracis) 		6 / 11 HIS A  59
HIS A  61
ASP A  63
HIS A  64
HIS A 134
HIS A 211
 ZN  A 245 (-3.3A)
ZN  A 245 (-3.1A)
ZN  A 246 (-2.7A)
ZN  A 246 (-3.2A)
ZN  A 245 (-3.3A)
ZN  A 246 (-3.2A)
 0.44A 5ayaA-1zkpA:
10.6		 5ayaA-1zkpA:
25.42
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.
5B1A_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1zkp HYPOTHETICAL PROTEIN
BA1088
(Bacillus
anthracis) 		4 / 8 HIS A  64
THR A 210
HIS A 134
LEU A 207
 ZN  A 246 (-3.2A)
None
ZN  A 245 (-3.3A)
None
 1.22A 5b1aA-1zkpA:
undetectable
5b1aC-1zkpA:
undetectable
5b1aP-1zkpA:
undetectable		 5b1aA-1zkpA:
20.61
5b1aC-1zkpA:
21.53
5b1aP-1zkpA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B3S_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1zkp HYPOTHETICAL PROTEIN
BA1088
(Bacillus
anthracis) 		4 / 8 HIS A  64
THR A 210
HIS A 134
LEU A 207
 ZN  A 246 (-3.2A)
None
ZN  A 245 (-3.3A)
None
 1.18A 5b3sA-1zkpA:
undetectable
5b3sC-1zkpA:
undetectable
5b3sP-1zkpA:
undetectable		 5b3sA-1zkpA:
20.61
5b3sC-1zkpA:
21.53
5b3sP-1zkpA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CPR_B_SAMB402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 1zkp HYPOTHETICAL PROTEIN
BA1088
(Bacillus
anthracis) 		3 / 3 HIS A  61
SER A  20
ASN A 177
 ZN  A 245 (-3.1A)
ZN  A 246 ( 4.8A)
None
 0.89A 5cprB-1zkpA:
undetectable		 5cprB-1zkpA:
19.23
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.
5D4U_D_SAMD301_0
(UNCHARACTERIZED
PROTEIN MJ0489)		 5g2h -
(Salmonella
enterica) 		5 / 12 GLY A 225
ILE A 223
HIS A  47
GLY A 203
ILE A 205
 SO4  A1245 (-3.4A)
None
None
SO4  A1245 ( 3.9A)
None
 0.99A 5d4uD-5g2hA:
undetectable		 5d4uD-5g2hA:
21.16
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.
5DZK_3_BEZ3801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
BEZ-LEU-LEU)		 1lqt FPRA
(Mycobacterium
tuberculosis) 		4 / 4 LEU A  48
ILE A 368
GLY A  52
ILE A  60
 FAD  A2457 (-2.9A)
FAD  A2457 (-3.7A)
FAD  A2457 (-3.0A)
FAD  A2457 ( 3.5A)
 0.84A 5dzk3-1lqtA:
undetectable
5dzkm-1lqtA:
0.0		 5dzk3-1lqtA:
8.70
5dzkm-1lqtA:
19.09
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.
5DZK_W_BEZW801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 1lqt FPRA
(Mycobacterium
tuberculosis) 		4 / 5 ILE A 368
GLY A  52
ILE A  60
LEU A  48
 FAD  A2457 (-3.7A)
FAD  A2457 (-3.0A)
FAD  A2457 ( 3.5A)
FAD  A2457 (-2.9A)
 0.74A 5dzkB-1lqtA:
undetectable
5dzkI-1lqtA:
undetectable
5dzkW-1lqtA:
undetectable		 5dzkB-1lqtA:
19.65
5dzkI-1lqtA:
19.09
5dzkW-1lqtA:
8.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZK_X_BEZX801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
BEZ-LEU-LEU)		 1lqt FPRA
(Mycobacterium
tuberculosis) 		4 / 5 ILE A 368
GLY A  52
ILE A  60
LEU A  48
 FAD  A2457 (-3.7A)
FAD  A2457 (-3.0A)
FAD  A2457 ( 3.5A)
FAD  A2457 (-2.9A)
 0.78A 5dzki-1lqtA:
undetectable
5dzkj-1lqtA:
undetectable
5dzkx-1lqtA:
undetectable		 5dzki-1lqtA:
19.09
5dzkj-1lqtA:
19.09
5dzkx-1lqtA:
8.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZK_Z_BEZZ801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
BEZ-LEU-LEU)		 1lqt FPRA
(Mycobacterium
tuberculosis) 		4 / 4 ILE A 368
GLY A  52
ILE A  60
LEU A  48
 FAD  A2457 (-3.7A)
FAD  A2457 (-3.0A)
FAD  A2457 ( 3.5A)
FAD  A2457 (-2.9A)
 0.68A 5dzkl-1lqtA:
0.0
5dzkz-1lqtA:
undetectable		 5dzkl-1lqtA:
19.09
5dzkz-1lqtA:
8.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E2I_A_DMEA605_1
(ACETYLCHOLINESTERASE)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN
(Escherichia
coli) 		4 / 6 TYR B 108
ASP A1103
PHE A 773
TYR A 101
 None
None
MD1  A1245 (-3.8A)
None
 1.03A 5e2iA-3egwB:
undetectable		 5e2iA-3egwB:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ECL_A_ILEA602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		 1a5i PLASMINOGEN
ACTIVATOR
(Desmodus
rotundus) 		4 / 6 ALA A  56
VAL A  90
TYR A  88
HIS A  57
 None
None
None
0GJ  A 245 (-2.7A)
 0.98A 5eclA-1a5iA:
undetectable		 5eclA-1a5iA:
17.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_A_SHHA2004_1
(HDAC6 PROTEIN)		 2y7i STM4351
(Salmonella
enterica) 		5 / 12 PRO A  35
HIS A 140
GLY A 176
ASP A  91
TYR A  36
 None
ARG  A1245 (-4.3A)
None
ARG  A1245 (-3.7A)
None
 1.32A 5eeiA-2y7iA:
undetectable		 5eeiA-2y7iA:
19.74
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.
5EEI_B_SHHB801_1
(HDAC6 PROTEIN)		 2y7i STM4351
(Salmonella
enterica) 		5 / 12 PRO A  35
HIS A 140
GLY A 176
ASP A  91
TYR A  36
 None
ARG  A1245 (-4.3A)
None
ARG  A1245 (-3.7A)
None
 1.31A 5eeiB-2y7iA:
undetectable		 5eeiB-2y7iA:
19.74
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.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
(Escherichia
coli) 		5 / 12 PRO A 190
SER A1099
HIS A1092
ASP A 222
GLY A 579
 MD1  A1245 (-4.5A)
MD1  A1245 (-2.7A)
MGD  A1246 ( 3.7A)
6MO  A1247 (-2.1A)
MGD  A1246 (-3.5A)
 1.32A 5eenA-3egwA:
3.5		 5eenA-3egwA:
15.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ESL_A_1YNA701_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 1vpl ABC TRANSPORTER,
ATP-BINDING PROTEIN
(Thermotoga
maritima) 		4 / 5 ALA A 146
PRO A 161
GLY A  41
LEU A 188
 None
None
SO4  A 245 (-3.3A)
None
 1.02A 5eslA-1vplA:
undetectable		 5eslA-1vplA:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HFJ_C_SAMC301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		 2y7i STM4351
(Salmonella
enterica) 		5 / 12 ASP A 177
ALA A 112
PHE A 175
GLY A 133
GLU A 135
 ARG  A1245 (-3.1A)
None
None
None
ARG  A1245 (-2.9A)
 1.21A 5hfjC-2y7iA:
undetectable		 5hfjC-2y7iA:
19.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HWA_A_GCSA302_1
(CHITOSANASE)		 2y7i STM4351
(Salmonella
enterica) 		4 / 7 THR A 139
ASP A  91
TYR A  33
GLY A  89
 ARG  A1245 (-3.4A)
ARG  A1245 (-3.7A)
ARG  A1245 (-3.8A)
ARG  A1245 (-4.7A)
 1.01A 5hwaA-2y7iA:
undetectable		 5hwaA-2y7iA:
22.39
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.
5I3A_A_HQEA303_1
(TYROSINASE)		 1zkp HYPOTHETICAL PROTEIN
BA1088
(Bacillus
anthracis) 		4 / 7 HIS A  59
HIS A 189
ASN A 177
ALA A 154
 ZN  A 245 (-3.3A)
None
None
None
 0.89A 5i3aA-1zkpA:
undetectable		 5i3aA-1zkpA:
18.18
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.
5I3A_B_HQEB304_1
(TYROSINASE)		 1zkp HYPOTHETICAL PROTEIN
BA1088
(Bacillus
anthracis) 		4 / 7 HIS A  59
HIS A 189
ASN A 177
ALA A 154
 ZN  A 245 (-3.3A)
None
None
None
 0.88A 5i3aB-1zkpA:
undetectable		 5i3aB-1zkpA:
18.18
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.
5I3B_A_HQEA303_1
(TYROSINASE)		 1zkp HYPOTHETICAL PROTEIN
BA1088
(Bacillus
anthracis) 		4 / 7 HIS A  59
HIS A 189
ASN A 177
ALA A 154
 ZN  A 245 (-3.3A)
None
None
None
 0.90A 5i3bA-1zkpA:
undetectable		 5i3bA-1zkpA:
18.18
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.
5KB5_A_ADNA401_1
(ADENOSINE KINASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
GLY A 437
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
BGC  A2457 ( 4.0A)
BGC  A2457 ( 2.7A)
 0.40A 5kb5A-1ua4A:
25.2		 5kb5A-1ua4A:
22.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KB5_A_ADNA401_1
(ADENOSINE KINASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A 440
GLY A 437
ALA A 268
GLY A 111
ASP A  34
 BGC  A2457 ( 2.7A)
BGC  A2457 ( 4.0A)
BGC  A2457 ( 4.7A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 2.8A)
 0.72A 5kb5A-1ua4A:
25.2		 5kb5A-1ua4A:
22.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L4E_D_EDPD402_1
(PROTON-GATED ION
CHANNEL)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
(Escherichia
coli) 		4 / 8 SER A1099
THR A 770
THR A 778
SER A 776
 MD1  A1245 (-2.7A)
None
None
MD1  A1245 ( 4.0A)
 0.98A 5l4eA-3egwA:
undetectable
5l4eB-3egwA:
undetectable
5l4eC-3egwA:
undetectable
5l4eD-3egwA:
undetectable
5l4eE-3egwA:
undetectable		 5l4eA-3egwA:
14.24
5l4eB-3egwA:
14.24
5l4eC-3egwA:
14.24
5l4eD-3egwA:
14.24
5l4eE-3egwA:
14.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L6E_A_SAMA601_0
(N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT)		 1lqt FPRA
(Mycobacterium
tuberculosis) 		5 / 12 ARG A 320
PRO A 275
LEU A 112
GLY A 198
GLY A 154
 None
None
ACT  A1866 (-4.1A)
None
ODP  A2458 ( 3.4A)
 1.17A 5l6eA-1lqtA:
undetectable		 5l6eA-1lqtA:
18.93
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.
5M5C_B_TA1B502_1
(TUBULIN BETA-2B
CHAIN)		 1lqt FPRA
(Mycobacterium
tuberculosis) 		5 / 12 ASP A 177
GLU A 430
ALA A 445
GLN A 107
LEU A  42
 None
None
None
FAD  A2457 ( 2.8A)
FAD  A2457 ( 4.3A)
 1.06A 5m5cB-1lqtA:
undetectable		 5m5cB-1lqtA:
23.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NCD_A_ACTA301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 2wjf TYROSINE-PROTEIN
PHOSPHATASE CPSB
(Streptococcus
pneumoniae) 		4 / 6 ASP A 199
HIS A   7
HIS A 201
HIS A 136
 MN  A1246 ( 2.8A)
MN  A1246 ( 3.3A)
MN  A1247 ( 3.3A)
MN  A1245 ( 3.5A)
 0.83A 5ncdA-2wjfA:
2.2
5ncdD-2wjfA:
5.5		 5ncdA-2wjfA:
22.34
5ncdD-2wjfA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NCD_C_ACTC301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 2wjf TYROSINE-PROTEIN
PHOSPHATASE CPSB
(Streptococcus
pneumoniae) 		4 / 6 ASP A 199
HIS A   7
HIS A 201
HIS A 136
 MN  A1246 ( 2.8A)
MN  A1246 ( 3.3A)
MN  A1247 ( 3.3A)
MN  A1245 ( 3.5A)
 0.88A 5ncdB-2wjfA:
5.3
5ncdC-2wjfA:
2.2		 5ncdB-2wjfA:
22.34
5ncdC-2wjfA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NEK_B_AZMB302_1
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 2wjf TYROSINE-PROTEIN
PHOSPHATASE CPSB
(Streptococcus
pneumoniae) 		4 / 8 ASP A 199
HIS A   7
HIS A 201
HIS A 136
 MN  A1246 ( 2.8A)
MN  A1246 ( 3.3A)
MN  A1247 ( 3.3A)
MN  A1245 ( 3.5A)
 0.93A 5nekB-2wjfA:
5.4		 5nekB-2wjfA:
17.47
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.
5NEK_D_AZMD302_1
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 1zkp HYPOTHETICAL PROTEIN
BA1088
(Bacillus
anthracis) 		4 / 8 ASP A 155
HIS A 134
HIS A  59
HIS A 211
 ZN  A 246 ( 2.4A)
ZN  A 245 (-3.3A)
ZN  A 245 (-3.3A)
ZN  A 246 (-3.2A)
 0.87A 5nekD-1zkpA:
undetectable		 5nekD-1zkpA:
16.47
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.
5NEL_A_ACTA302_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 2wjf TYROSINE-PROTEIN
PHOSPHATASE CPSB
(Streptococcus
pneumoniae) 		4 / 6 ASP A 199
HIS A   7
HIS A 201
HIS A 136
 MN  A1246 ( 2.8A)
MN  A1246 ( 3.3A)
MN  A1247 ( 3.3A)
MN  A1245 ( 3.5A)
 0.81A 5nelA-2wjfA:
5.2
5nelD-2wjfA:
5.4		 5nelA-2wjfA:
22.34
5nelD-2wjfA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NEL_C_ACTC302_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 2wjf TYROSINE-PROTEIN
PHOSPHATASE CPSB
(Streptococcus
pneumoniae) 		5 / 6 HIS A 136
HIS A   7
HIS A 201
LEU A 106
HIS A   5
 MN  A1245 ( 3.5A)
MN  A1246 ( 3.3A)
MN  A1247 ( 3.3A)
None
MN  A1246 (-3.4A)
 1.23A 5nelB-2wjfA:
5.1
5nelC-2wjfA:
5.3		 5nelB-2wjfA:
22.34
5nelC-2wjfA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NZW_A_9F2A1102_1
(DNA CROSS-LINK
REPAIR 1A PROTEIN)		 1zkp HYPOTHETICAL PROTEIN
BA1088
(Bacillus
anthracis) 		6 / 10 HIS A  59
HIS A  61
HIS A  64
HIS A 134
ASP A 155
HIS A 189
 ZN  A 245 (-3.3A)
ZN  A 245 (-3.1A)
ZN  A 246 (-3.2A)
ZN  A 245 (-3.3A)
ZN  A 246 ( 2.4A)
None
 0.46A 5nzwA-1zkpA:
10.1		 5nzwA-1zkpA:
22.28
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.
5OY0_2_PQN2843_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 3cql ENDOCHITINASE
(Carica
papaya) 		5 / 12 PHE A  34
ILE A 117
ALA A 154
LEU A 155
ALA A  37
 None
NAG  A 245 (-4.3A)
None
None
None
 1.01A 5oy02-3cqlA:
undetectable		 5oy02-3cqlA:
11.93
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.
5OY0_B_PQNB1844_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 3cql ENDOCHITINASE
(Carica
papaya) 		5 / 10 PHE A  34
ILE A 117
ALA A 154
LEU A 155
ALA A  37
 None
NAG  A 245 (-4.3A)
None
None
None
 1.06A 5oy0b-3cqlA:
undetectable		 5oy0b-3cqlA:
13.72
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.
5SXQ_A_NIZA808_1
(CATALASE-PEROXIDASE)		 2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50
(Geobacillus
stearothermophil
us) 		4 / 8 GLU A 261
VAL A 142
GLY A 245
LEU A 241
 GLU  A 261 ( 0.6A)
VAL  A 142 ( 0.4A)
GLY  A 245 ( 0.0A)
LEU  A 241 ( 0.6A)
 0.99A 5sxqA-2ogsA:
undetectable		 5sxqA-2ogsA:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5SXT_B_NIZB808_1
(CATALASE-PEROXIDASE)		 2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50
(Geobacillus
stearothermophil
us) 		4 / 8 GLU A 261
VAL A 142
GLY A 245
LEU A 241
 GLU  A 261 ( 0.6A)
VAL  A 142 ( 0.4A)
GLY  A 245 ( 0.0A)
LEU  A 241 ( 0.6A)
 1.00A 5sxtB-2ogsA:
undetectable		 5sxtB-2ogsA:
22.83
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.
5SYJ_B_NIZB809_1
(CATALASE-PEROXIDASE)		 2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50
(Geobacillus
stearothermophil
us) 		4 / 8 GLU A 261
VAL A 142
GLY A 245
LEU A 241
 GLU  A 261 ( 0.6A)
VAL  A 142 ( 0.4A)
GLY  A 245 ( 0.0A)
LEU  A 241 ( 0.6A)
 1.00A 5syjB-2ogsA:
undetectable		 5syjB-2ogsA:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TRQ_B_ACTB307_0
(WELO5)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
(Escherichia
coli) 		3 / 3 GLU A1220
HIS A1184
VAL A1187
 None
MD1  A1245 ( 4.6A)
None
 0.86A 5trqB-3egwA:
undetectable		 5trqB-3egwA:
13.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOP_A_C2FA3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 GLY A 233
ASP A 440
GLY A 111
ASN A  32
ILE A 116
 None
BGC  A2457 ( 2.7A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.5A)
None
 0.84A 5vopA-1ua4A:
3.3		 5vopA-1ua4A:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WAU_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
(Escherichia
coli) 		3 / 3 HIS A1098
HIS A1092
HIS A1163
 MD1  A1245 ( 3.5A)
MGD  A1246 ( 3.7A)
MD1  A1245 (-3.4A)
 0.74A 5waua-3egwA:
undetectable		 5waua-3egwA:
16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WQP_A_NCAA302_0
(PROBABLE
DEHYDROGENASE)		 3d3w L-XYLULOSE REDUCTASE
(Homo
sapiens) 		5 / 8 SER B 136
GLN B 137
TYR B 149
TRP B 191
MET B 186
 NAP  B1245 ( 3.0A)
PO4  B 245 (-4.0A)
NAP  B1245 (-4.5A)
PO4  B 245 ( 4.3A)
NAP  B1245 ( 3.8A)
 1.29A 5wqpA-3d3wB:
22.5		 5wqpA-3d3wB:
27.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X1B_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN
(Escherichia
coli;
Escherichia
coli) 		4 / 7 THR A 778
TYR A 781
HIS A1163
LEU B 111
 None
None
MD1  A1245 (-3.4A)
None
 1.20A 5x1bA-3egwA:
undetectable
5x1bC-3egwA:
undetectable
5x1bP-3egwA:
undetectable		 5x1bA-3egwA:
16.88
5x1bC-3egwA:
11.25
5x1bP-3egwA:
11.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X5Q_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 2cl8 DECTIN-1
(Mus
musculus) 		5 / 12 GLU A 162
ILE A 157
LEU A 182
GLY A 181
ALA A 198
 CA  A1245 (-2.2A)
None
None
None
None
 1.22A 5x5qB-2cl8A:
undetectable		 5x5qB-2cl8A:
18.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X7Z_A_BHAA201_0
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		 3d3w L-XYLULOSE REDUCTASE
(Homo
sapiens) 		4 / 6 LEU B  11
VAL B  37
LEU B  61
VAL B  57
 None
None
NAP  B1245 (-3.8A)
None
 0.94A 5x7zA-3d3wB:
undetectable		 5x7zA-3d3wB:
24.08
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.
5Y2T_B_8LXB501_0
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 5l5n PLEXIN-A4
(Mus
musculus) 		5 / 12 LEU A 203
ARG A 125
ILE A 172
TYR A 245
ILE A 184
 LEU  A 203 ( 0.5A)
ARG  A 125 ( 0.6A)
ILE  A 172 ( 0.7A)
TYR  A 245 ( 1.3A)
ILE  A 184 ( 0.4A)
 1.21A 5y2tB-5l5nA:
undetectable		 5y2tB-5l5nA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z85_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1zkp HYPOTHETICAL PROTEIN
BA1088
(Bacillus
anthracis) 		4 / 8 HIS A  64
THR A 210
HIS A 134
LEU A 207
 ZN  A 246 (-3.2A)
None
ZN  A 245 (-3.3A)
None
 1.23A 5z85A-1zkpA:
undetectable
5z85C-1zkpA:
undetectable
5z85P-1zkpA:
undetectable		 5z85A-1zkpA:
20.61
5z85C-1zkpA:
21.53
5z85P-1zkpA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z85_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1zkp HYPOTHETICAL PROTEIN
BA1088
(Bacillus
anthracis) 		4 / 7 LEU A 207
HIS A  64
THR A 210
HIS A 134
 None
ZN  A 246 (-3.2A)
None
ZN  A 245 (-3.3A)
 1.24A 5z85C-1zkpA:
undetectable
5z85N-1zkpA:
undetectable
5z85P-1zkpA:
undetectable		 5z85C-1zkpA:
21.53
5z85N-1zkpA:
20.61
5z85P-1zkpA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZJ8_A_9DCA303_0
(METALLO-BETA-LACTAMA
SE TYPE 2)		 1zkp HYPOTHETICAL PROTEIN
BA1088
(Bacillus
anthracis) 		4 / 8 HIS A  61
ASP A  63
HIS A 134
HIS A 211
 ZN  A 245 (-3.1A)
ZN  A 246 (-2.7A)
ZN  A 245 (-3.3A)
ZN  A 246 (-3.2A)
 0.73A 5zj8A-1zkpA:
10.0		 5zj8A-1zkpA:
23.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B58_A_ACTA609_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)		 5a9a POLYHEDRIN
(Simulium
ubiquitum
cypovirus) 		3 / 3 HIS A  95
HIS A  96
ARG A  78
 UTP  A1245 (-4.7A)
UTP  A1245 (-4.0A)
UTP  A1245 (-3.0A)
 1.14A 6b58A-5a9aA:
undetectable		 6b58A-5a9aA:
17.08
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.
6C2M_C_SUEC1203_0
(NS3 PROTEASE)		 1a5i PLASMINOGEN
ACTIVATOR
(Desmodus
rotundus) 		5 / 12 HIS A  57
ASP A 102
GLY A 193
SER A 195
VAL A 217
 0GJ  A 245 (-2.7A)
None
0GJ  A 245 (-3.7A)
0GJ  A 245 (-1.4A)
0GJ  A 245 ( 4.9A)
 0.90A 6c2mC-1a5iA:
4.4		 6c2mC-1a5iA:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CP4_A_CAMA422_0
(CYTOCHROME P450CAM)		 4yzr POLYKETIDE
BIOSYNTHESIS
CYTOCHROME P450 PKSS
(Bacillus
subtilis) 		4 / 8 LEU A 237
VAL A 240
THR A 245
VAL A 288
 LEU  A 237 ( 0.6A)
VAL  A 240 ( 0.5A)
THR  A 245 ( 0.8A)
VAL  A 288 ( 0.6A)
 0.87A 6cp4A-4yzrA:
42.4		 6cp4A-4yzrA:
27.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EFN_A_SAMA501_0
(SPORULATION KILLING
FACTOR MATURATION
PROTEIN SKFB)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN
(Escherichia
coli;
Escherichia
coli) 		5 / 11 SER A1099
ARG A 774
ALA A1164
LEU A1171
ALA B 124
 MD1  A1245 (-2.7A)
MD1  A1245 (-3.8A)
None
None
None
 1.14A 6efnA-3egwA:
undetectable		 6efnA-3egwA:
15.72
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.
6GIQ_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
(Escherichia
coli) 		3 / 3 HIS A1098
HIS A1092
HIS A1163
 MD1  A1245 ( 3.5A)
MGD  A1246 ( 3.7A)
MD1  A1245 (-3.4A)
 0.62A 6giqa-3egwA:
undetectable		 6giqa-3egwA:
17.08
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.
6GIQ_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3h7j BACILYSIN
BIOSYNTHESIS PROTEIN
BACB
(Bacillus
subtilis) 		3 / 3 HIS A 164
HIS A 202
HIS A 162
 CO  A 245 ( 3.4A)
CO  A 245 ( 3.2A)
CO  A 245 ( 3.4A)
 0.70A 6giqa-3h7jA:
undetectable		 6giqa-3h7jA:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HD4_B_STIB602_1
(TYROSINE-PROTEIN
KINASE ABL1)		 1lqt FPRA
(Mycobacterium
tuberculosis) 		4 / 6 LEU A  32
TYR A   4
VAL A   9
GLY A 387
 None
None
FAD  A2457 ( 4.7A)
None
 0.96A 6hd4B-1lqtA:
undetectable		 6hd4B-1lqtA:
10.18
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.
6HU9_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
(Escherichia
coli) 		3 / 3 HIS A1098
HIS A1092
HIS A1163
 MD1  A1245 ( 3.5A)
MGD  A1246 ( 3.7A)
MD1  A1245 (-3.4A)
 0.74A 6hu9a-3egwA:
undetectable		 6hu9a-3egwA:
17.08
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.
6HU9_N_PCFN606_0
(CYTOCHROME B)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
(Escherichia
coli) 		5 / 12 MET A 194
ALA A 193
THR A 587
VAL A 578
TYR A 220
 None
None
None
MGD  A1246 (-3.9A)
MD1  A1245 (-3.5A)
 1.43A 6hu9N-3egwA:
undetectable		 6hu9N-3egwA:
14.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NMF_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN
(Escherichia
coli;
Escherichia
coli) 		4 / 7 THR A 778
TYR A 781
HIS A1163
LEU B 111
 None
None
MD1  A1245 (-3.4A)
None
 1.19A 6nmfA-3egwA:
undetectable
6nmfC-3egwA:
undetectable
6nmfP-3egwA:
undetectable		 6nmfA-3egwA:
16.88
6nmfC-3egwA:
11.25
6nmfP-3egwA:
11.25