SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'BEN'


List of Similar Pattern of Amino Acids

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

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1AQ7_B_AG2B4_1
(TRYPSIN
AERUGINOSIN 98-B)		 1a0j TRYPSIN
(Salmo
salar) 		7 / 8 ASP A 189
SER A 190
GLN A 192
SER A 195
VAL A 213
GLY A 216
GLY A 226
 BEN  A 246 (-3.0A)
BEN  A 246 (-3.0A)
None
SO4  A 248 ( 2.5A)
None
BEN  A 246 ( 3.9A)
BEN  A 246 (-3.3A)
 0.80A 1aq7A-1a0jA:
41.1		 1aq7A-1a0jA:
73.54
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)		 1a0j TRYPSIN
(Salmo
salar) 		7 / 8 HIS A  57
ASP A 189
SER A 190
SER A 195
VAL A 213
GLY A 216
GLY A 226
 SO4  A 248 (-3.9A)
BEN  A 246 (-3.0A)
BEN  A 246 (-3.0A)
SO4  A 248 ( 2.5A)
None
BEN  A 246 ( 3.9A)
BEN  A 246 (-3.3A)
 0.48A 1aq7A-1a0jA:
41.1		 1aq7A-1a0jA:
73.54
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)		 1h4w TRYPSIN IVA
(Homo
sapiens) 		8 / 8 HIS A  57
ASP A 189
SER A 190
GLN A 192
SER A 195
VAL A 213
GLY A 216
GLY A 226
 None
BEN  A 250 (-2.9A)
BEN  A 250 (-2.9A)
BEN  A 250 (-3.8A)
BEN  A 250 (-3.6A)
None
BEN  A 250 (-3.9A)
BEN  A 250 (-3.3A)
 0.76A 1aq7A-1h4wA:
42.6		 1aq7A-1h4wA:
72.65
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)		 1mbq TRYPSIN
(Oncorhynchus
keta) 		7 / 8 HIS A  57
ASP A 189
SER A 190
SER A 195
VAL A 213
GLY A 216
GLY A 226
 None
BEN  A1222 (-2.9A)
BEN  A1222 (-2.9A)
BEN  A1222 (-3.5A)
None
BEN  A1222 (-3.9A)
BEN  A1222 (-3.4A)
 0.46A 1aq7A-1mbqA:
40.6		 1aq7A-1mbqA:
65.61
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)		 2eek TRYPSIN-1
(Gadus
morhua) 		8 / 8 HIS A  57
ASP A 189
SER A 190
GLN A 192
SER A 195
VAL A 213
GLY A 216
GLY A 226
 None
BEN  A 301 (-2.7A)
BEN  A 301 (-2.8A)
BEN  A 301 (-4.1A)
BEN  A 301 (-3.4A)
None
BEN  A 301 ( 3.8A)
BEN  A 301 (-3.2A)
 0.57A 1aq7A-2eekA:
40.5		 1aq7A-2eekA:
62.44
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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AQ7_B_AG2B4_1
(TRYPSIN
AERUGINOSIN 98-B)		 2pka KALLIKREIN A
(Sus
scrofa) 		4 / 8 HIS A  57
ASP B 189
SER B 195
GLY B 216
 None
BEN  B   1 (-3.0A)
BEN  B   1 ( 4.0A)
BEN  B   1 (-3.5A)
 0.57A 1aq7A-2pkaA:
7.5		 1aq7A-2pkaA:
22.07
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)		 3beu TRYPSIN
(Streptomyces
griseus) 		6 / 8 HIS A  57
ASP A 189
SER A 195
VAL A 213
GLY A 216
GLY A 226
 SO4  A 246 ( 3.8A)
BEN  A 247 (-3.0A)
SO4  A 246 ( 2.5A)
None
BEN  A 247 (-3.7A)
BEN  A 247 (-3.5A)
 0.52A 1aq7A-3beuA:
32.1		 1aq7A-3beuA:
36.93
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)		 1a0j TRYPSIN
(Salmo
salar) 		6 / 9 ASP A 189
SER A 195
VAL A 213
TRP A 215
GLY A 216
GLY A 226
 BEN  A 246 (-3.0A)
SO4  A 248 ( 2.5A)
None
None
BEN  A 246 ( 3.9A)
BEN  A 246 (-3.3A)
 0.34A 1bcuH-1a0jA:
18.8		 1bcuH-1a0jA:
37.74
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)		 1h4w TRYPSIN IVA
(Homo
sapiens) 		6 / 9 ASP A 189
SER A 195
VAL A 213
TRP A 215
GLY A 216
GLY A 226
 BEN  A 250 (-2.9A)
BEN  A 250 (-3.6A)
None
None
BEN  A 250 (-3.9A)
BEN  A 250 (-3.3A)
 0.32A 1bcuH-1h4wA:
18.6		 1bcuH-1h4wA:
37.21
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)		 1mbq TRYPSIN
(Oncorhynchus
keta) 		6 / 9 ASP A 189
SER A 195
VAL A 213
TRP A 215
GLY A 216
GLY A 226
 BEN  A1222 (-2.9A)
BEN  A1222 (-3.5A)
None
None
BEN  A1222 (-3.9A)
BEN  A1222 (-3.4A)
 0.34A 1bcuH-1mbqA:
18.2		 1bcuH-1mbqA:
37.65
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)		 2eek TRYPSIN-1
(Gadus
morhua) 		6 / 9 ASP A 189
SER A 195
VAL A 213
TRP A 215
GLY A 216
GLY A 226
 BEN  A 301 (-2.7A)
BEN  A 301 (-3.4A)
None
None
BEN  A 301 ( 3.8A)
BEN  A 301 (-3.2A)
 0.29A 1bcuH-2eekA:
18.0		 1bcuH-2eekA:
38.37
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
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)		 3beu TRYPSIN
(Streptomyces
griseus) 		6 / 9 ASP A 189
SER A 195
VAL A 213
TRP A 215
GLY A 216
GLY A 226
 BEN  A 247 (-3.0A)
SO4  A 246 ( 2.5A)
None
None
BEN  A 247 (-3.7A)
BEN  A 247 (-3.5A)
 0.25A 1bcuH-3beuA:
32.2		 1bcuH-3beuA:
34.11
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.
1BCU_H_PRLH280_0
(ALPHA-THROMBIN)		 5uni NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA
(Thermus
thermophilus) 		5 / 9 ALA B  96
GLU B 103
VAL B 218
GLY B 122
GLY B 125
 None
BEN  B 310 (-3.3A)
None
None
None
 1.28A 1bcuH-5uniB:
undetectable		 1bcuH-5uniB:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1BCU_H_PRLH280_0
(ALPHA-THROMBIN)		 6b74 COAGULATION FACTOR
XII
(Homo
sapiens) 		6 / 9 ASP B 189
ALA B 190
SER B 195
TRP B 215
GLY B 216
GLY B 226
 BEN  B 301 (-2.7A)
BEN  B 301 (-4.1A)
SO4  B 304 ( 2.5A)
None
BEN  B 301 (-3.3A)
BEN  B 301 (-3.1A)
 0.41A 1bcuH-6b74B:
34.9		 1bcuH-6b74B:
undetectable
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))		 1a0j TRYPSIN
(Salmo
salar) 		5 / 9 HIS A  57
ASP A 189
SER A 195
TRP A 215
GLY A 226
 SO4  A 248 (-3.9A)
BEN  A 246 (-3.0A)
SO4  A 248 ( 2.5A)
None
BEN  A 246 (-3.3A)
 0.46A 1dwcH-1a0jA:
33.7		 1dwcH-1a0jA:
37.74
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))		 1h4w TRYPSIN IVA
(Homo
sapiens) 		5 / 9 HIS A  57
ASP A 189
SER A 195
TRP A 215
GLY A 226
 None
BEN  A 250 (-2.9A)
BEN  A 250 (-3.6A)
None
BEN  A 250 (-3.3A)
 0.33A 1dwcH-1h4wA:
34.1		 1dwcH-1h4wA:
37.21
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))		 1mbq TRYPSIN
(Oncorhynchus
keta) 		5 / 9 HIS A  57
ASP A 189
SER A 195
TRP A 215
GLY A 226
 None
BEN  A1222 (-2.9A)
BEN  A1222 (-3.5A)
None
BEN  A1222 (-3.4A)
 0.34A 1dwcH-1mbqA:
33.7		 1dwcH-1mbqA:
37.65
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))		 2eek TRYPSIN-1
(Gadus
morhua) 		5 / 9 HIS A  57
ASP A 189
SER A 195
TRP A 215
GLY A 226
 None
BEN  A 301 (-2.7A)
BEN  A 301 (-3.4A)
None
BEN  A 301 (-3.2A)
 0.37A 1dwcH-2eekA:
33.1		 1dwcH-2eekA:
38.37
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
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))		 3beu TRYPSIN
(Streptomyces
griseus) 		5 / 9 HIS A  57
ASP A 189
SER A 195
TRP A 215
GLY A 226
 SO4  A 246 ( 3.8A)
BEN  A 247 (-3.0A)
SO4  A 246 ( 2.5A)
None
BEN  A 247 (-3.5A)
 0.30A 1dwcH-3beuA:
31.4		 1dwcH-3beuA:
34.11
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.
1DWC_H_MITH1_1
(ALPHA-THROMBIN
(LARGE SUBUNIT))		 6b74 COAGULATION FACTOR
XII
(Homo
sapiens) 		5 / 9 HIS B  57
ASP B 189
SER B 195
TRP B 215
GLY B 226
 SO4  B 304 (-3.8A)
BEN  B 301 (-2.7A)
SO4  B 304 ( 2.5A)
None
BEN  B 301 (-3.1A)
 0.49A 1dwcH-6b74B:
34.5		 1dwcH-6b74B:
16.47
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)		 1a0j TRYPSIN
(Salmo
salar) 		8 / 12 HIS A  57
LEU A  99
ASP A 189
SER A 195
VAL A 213
TRP A 215
GLY A 216
GLY A 226
 SO4  A 248 (-3.9A)
None
BEN  A 246 (-3.0A)
SO4  A 248 ( 2.5A)
None
None
BEN  A 246 ( 3.9A)
BEN  A 246 (-3.3A)
 0.56A 1etrH-1a0jA:
33.8		 1etrH-1a0jA:
36.58
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)		 1h4w TRYPSIN IVA
(Homo
sapiens) 		8 / 12 HIS A  57
LEU A  99
ASP A 189
SER A 195
VAL A 213
TRP A 215
GLY A 216
GLY A 226
 None
None
BEN  A 250 (-2.9A)
BEN  A 250 (-3.6A)
None
None
BEN  A 250 (-3.9A)
BEN  A 250 (-3.3A)
 0.45A 1etrH-1h4wA:
34.1		 1etrH-1h4wA:
37.45
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)		 1mbq TRYPSIN
(Oncorhynchus
keta) 		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  A1222 (-2.9A)
BEN  A1222 (-3.5A)
None
None
BEN  A1222 (-3.9A)
BEN  A1222 (-3.4A)
 0.42A 1etrH-1mbqA:
33.6		 1etrH-1mbqA:
38.22
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)		 2eek TRYPSIN-1
(Gadus
morhua) 		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 301 (-2.7A)
BEN  A 301 (-3.4A)
None
None
BEN  A 301 ( 3.8A)
BEN  A 301 (-3.2A)
 0.43A 1etrH-2eekA:
33.0		 1etrH-2eekA:
38.76
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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ETR_H_MITH1_1
(EPSILON-THROMBIN)		 2pka KALLIKREIN A
(Sus
scrofa) 		5 / 12 HIS A  57
ASP B 189
SER B 195
TRP B 215
GLY B 216
 None
BEN  B   1 (-3.0A)
BEN  B   1 ( 4.0A)
None
BEN  B   1 (-3.5A)
 0.51A 1etrH-2pkaA:
6.9		 1etrH-2pkaA:
16.60
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)		 3beu TRYPSIN
(Streptomyces
griseus) 		7 / 12 HIS A  57
ASP A 189
SER A 195
VAL A 213
TRP A 215
GLY A 216
GLY A 226
 SO4  A 246 ( 3.8A)
BEN  A 247 (-3.0A)
SO4  A 246 ( 2.5A)
None
None
BEN  A 247 (-3.7A)
BEN  A 247 (-3.5A)
 0.49A 1etrH-3beuA:
31.3		 1etrH-3beuA:
35.27
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.
1ETR_H_MITH1_1
(EPSILON-THROMBIN)		 6b74 COAGULATION FACTOR
XII
(Homo
sapiens) 		6 / 12 HIS B  57
ASP B 189
SER B 195
TRP B 215
GLY B 216
GLY B 226
 SO4  B 304 (-3.8A)
BEN  B 301 (-2.7A)
SO4  B 304 ( 2.5A)
None
BEN  B 301 (-3.3A)
BEN  B 301 (-3.1A)
 0.58A 1etrH-6b74B:
34.4		 1etrH-6b74B:
15.66
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)		 1a0j TRYPSIN
(Salmo
salar) 		6 / 8 ASP A 189
SER A 190
SER A 195
VAL A 213
GLY A 216
GLY A 226
 BEN  A 246 (-3.0A)
BEN  A 246 (-3.0A)
SO4  A 248 ( 2.5A)
None
BEN  A 246 ( 3.9A)
BEN  A 246 (-3.3A)
 0.27A 1f5lA-1a0jA:
15.7		 1f5lA-1a0jA:
37.35
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)		 1h4w TRYPSIN IVA
(Homo
sapiens) 		6 / 8 ASP A 189
SER A 190
SER A 195
VAL A 213
GLY A 216
GLY A 226
 BEN  A 250 (-2.9A)
BEN  A 250 (-2.9A)
BEN  A 250 (-3.6A)
None
BEN  A 250 (-3.9A)
BEN  A 250 (-3.3A)
 0.32A 1f5lA-1h4wA:
14.7		 1f5lA-1h4wA:
38.80
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)		 1mbq TRYPSIN
(Oncorhynchus
keta) 		6 / 8 ASP A 189
SER A 190
SER A 195
VAL A 213
GLY A 216
GLY A 226
 BEN  A1222 (-2.9A)
BEN  A1222 (-2.9A)
BEN  A1222 (-3.5A)
None
BEN  A1222 (-3.9A)
BEN  A1222 (-3.4A)
 0.36A 1f5lA-1mbqA:
16.5		 1f5lA-1mbqA:
34.52
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)		 1mbq TRYPSIN
(Oncorhynchus
keta) 		6 / 8 SER A 190
GLN A 192
SER A 195
VAL A 213
GLY A 216
GLY A 226
 BEN  A1222 (-2.9A)
None
BEN  A1222 (-3.5A)
None
BEN  A1222 (-3.9A)
BEN  A1222 (-3.4A)
 0.51A 1f5lA-1mbqA:
16.5		 1f5lA-1mbqA:
34.52
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)		 2eek TRYPSIN-1
(Gadus
morhua) 		6 / 8 ASP A 189
SER A 190
SER A 195
VAL A 213
GLY A 216
GLY A 226
 BEN  A 301 (-2.7A)
BEN  A 301 (-2.8A)
BEN  A 301 (-3.4A)
None
BEN  A 301 ( 3.8A)
BEN  A 301 (-3.2A)
 0.30A 1f5lA-2eekA:
15.7		 1f5lA-2eekA:
34.77
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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		 3beu TRYPSIN
(Streptomyces
griseus) 		6 / 8 ASP A 189
GLN A 192
SER A 195
VAL A 213
GLY A 216
GLY A 226
 BEN  A 247 (-3.0A)
SO4  A 246 ( 4.1A)
SO4  A 246 ( 2.5A)
None
BEN  A 247 (-3.7A)
BEN  A 247 (-3.5A)
 0.57A 1f5lA-3beuA:
31.1		 1f5lA-3beuA:
29.81
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.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		 6b74 COAGULATION FACTOR
XII
(Homo
sapiens) 		5 / 8 ASP B 189
GLN B 192
SER B 195
GLY B 216
GLY B 226
 BEN  B 301 (-2.7A)
SO4  B 304 (-4.4A)
SO4  B 304 ( 2.5A)
BEN  B 301 (-3.3A)
BEN  B 301 (-3.1A)
 0.51A 1f5lA-6b74B:
36.7		 1f5lA-6b74B:
17.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GXS_A_BEZA601_0
(P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B)		 6b74 COAGULATION FACTOR
XII
(Homo
sapiens) 		4 / 7 GLY B 216
ASP B 102
HIS B  57
ALA B  55
 BEN  B 301 (-3.3A)
None
SO4  B 304 (-3.8A)
None
 0.96A 1gxsA-6b74B:
undetectable
1gxsB-6b74B:
undetectable		 1gxsA-6b74B:
undetectable
1gxsB-6b74B:
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.
1LII_A_ADNA699_2
(ADENOSINE KINASE)		 2pka KALLIKREIN A
(Sus
scrofa) 		4 / 4 SER B 226
LEU B 160
TYR B 228
GLY B 221
 BEN  B   1 (-2.7A)
None
None
None
 1.11A 1liiA-2pkaB:
undetectable		 1liiA-2pkaB:
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.
1MEH_A_MOAA600_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 6b74 COAGULATION FACTOR
XII
(Homo
sapiens) 		5 / 10 SER B 195
SER B 214
ILE B 212
GLY B 211
GLY B 226
 SO4  B 304 ( 2.5A)
None
None
None
BEN  B 301 (-3.1A)
 1.29A 1mehA-6b74B:
undetectable		 1mehA-6b74B:
10.02
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.
1NW5_A_SAMA401_1
(MODIFICATION
METHYLASE RSRI)		 1nsa PROCARBOXYPEPTIDASE
B
(Sus
scrofa) 		3 / 3 ASP A 255
HIS A 196
ASP A  65
 BEN  A   1 (-3.1A)
ZN  A 501 (-3.2A)
None
 0.73A 1nw5A-1nsaA:
undetectable		 1nw5A-1nsaA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ONI_A_BEZA501_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 5uni NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA
(Thermus
thermophilus) 		4 / 7 PHE B 109
ALA B 118
ILE B  99
GLU B 221
 BEN  B 310 ( 4.2A)
None
None
None
 1.12A 1oniA-5uniB:
undetectable
1oniB-5uniB:
undetectable		 1oniA-5uniB:
19.17
1oniB-5uniB:
19.17
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.
1ONI_I_BEZI517_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 5uni NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA
(Thermus
thermophilus) 		4 / 7 ILE B  99
GLU B 221
PHE B 109
ALA B 118
 None
None
BEN  B 310 ( 4.2A)
None
 1.01A 1oniG-5uniB:
undetectable
1oniI-5uniB:
undetectable		 1oniG-5uniB:
19.17
1oniI-5uniB:
19.17
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.
1OXR_A_AINA141_1
(PHOSPHOLIPASE A2
ISOFORM 3)		 2pka KALLIKREIN A
(Sus
scrofa) 		4 / 4 LEU B 199
GLY B 184
ASP B 189
TYR B 228
 None
None
BEN  B   1 (-3.0A)
None
 1.24A 1oxrA-2pkaB:
undetectable		 1oxrA-2pkaB:
18.83
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.
1P6K_A_ACTA860_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 6b74 COAGULATION FACTOR
XII
(Homo
sapiens) 		4 / 6 GLY B 142
GLN B 156
VAL B 138
ALA B 190
 None
SO4  B 306 (-4.5A)
None
BEN  B 301 (-4.1A)
 0.93A 1p6kA-6b74B:
undetectable		 1p6kA-6b74B:
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.
1TLM_A_MILA128_1
(TRANSTHYRETIN)		 3beu TRYPSIN
(Streptomyces
griseus) 		3 / 3 LEU A 105
LEU A  89
SER A  60
 None
BEN  A   8 ( 4.6A)
None
 0.66A 1tlmA-3beuA:
undetectable		 1tlmA-3beuA:
22.42
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)		 1a0j TRYPSIN
(Salmo
salar) 		6 / 6 ASP A 189
SER A 190
SER A 195
VAL A 213
GLY A 216
GLY A 226
 BEN  A 246 (-3.0A)
BEN  A 246 (-3.0A)
SO4  A 248 ( 2.5A)
None
BEN  A 246 ( 3.9A)
BEN  A 246 (-3.3A)
 0.22A 1tnlA-1a0jA:
41.5		 1tnlA-1a0jA:
73.54
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)		 1h4w TRYPSIN IVA
(Homo
sapiens) 		6 / 6 ASP A 189
SER A 190
SER A 195
VAL A 213
GLY A 216
GLY A 226
 BEN  A 250 (-2.9A)
BEN  A 250 (-2.9A)
BEN  A 250 (-3.6A)
None
BEN  A 250 (-3.9A)
BEN  A 250 (-3.3A)
 0.20A 1tnlA-1h4wA:
43.2		 1tnlA-1h4wA:
72.65
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)		 1mbq TRYPSIN
(Oncorhynchus
keta) 		6 / 6 ASP A 189
SER A 190
SER A 195
VAL A 213
GLY A 216
GLY A 226
 BEN  A1222 (-2.9A)
BEN  A1222 (-2.9A)
BEN  A1222 (-3.5A)
None
BEN  A1222 (-3.9A)
BEN  A1222 (-3.4A)
 0.26A 1tnlA-1mbqA:
41.0		 1tnlA-1mbqA:
65.61
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)		 2eek TRYPSIN-1
(Gadus
morhua) 		6 / 6 ASP A 189
SER A 190
SER A 195
VAL A 213
GLY A 216
GLY A 226
 BEN  A 301 (-2.7A)
BEN  A 301 (-2.8A)
BEN  A 301 (-3.4A)
None
BEN  A 301 ( 3.8A)
BEN  A 301 (-3.2A)
 0.25A 1tnlA-2eekA:
40.3		 1tnlA-2eekA:
62.44
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
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)		 3beu TRYPSIN
(Streptomyces
griseus) 		5 / 6 ASP A 189
SER A 195
VAL A 213
GLY A 216
GLY A 226
 BEN  A 247 (-3.0A)
SO4  A 246 ( 2.5A)
None
BEN  A 247 (-3.7A)
BEN  A 247 (-3.5A)
 0.29A 1tnlA-3beuA:
32.1		 1tnlA-3beuA:
36.44
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.
1TNL_A_TPAA900_1
(TRYPSIN)		 6b74 COAGULATION FACTOR
XII
(Homo
sapiens) 		4 / 6 ASP B 189
SER B 195
GLY B 216
GLY B 226
 BEN  B 301 (-2.7A)
SO4  B 304 ( 2.5A)
BEN  B 301 (-3.3A)
BEN  B 301 (-3.1A)
 0.23A 1tnlA-6b74B:
13.8		 1tnlA-6b74B:
16.74
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.
2BTE_A_LEUA1894_0
(AMINOACYL-TRNA
SYNTHETASE)		 3m7o LYMPHOCYTE ANTIGEN
86
(Mus
musculus) 		4 / 8 TYR A 145
ASP A  84
SER A  98
TYR A  97
 BEN  A 165 (-3.4A)
BEN  A 163 ( 3.2A)
BEN  A 163 ( 3.4A)
L9R  A 301 ( 3.5A)
 0.95A 2bteA-3m7oA:
undetectable		 2bteA-3m7oA:
9.79
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.
2BTE_D_LEUD1893_0
(AMINOACYL-TRNA
SYNTHETASE)		 3m7o LYMPHOCYTE ANTIGEN
86
(Mus
musculus) 		4 / 8 TYR A 145
ASP A  84
SER A  98
TYR A  97
 BEN  A 165 (-3.4A)
BEN  A 163 ( 3.2A)
BEN  A 163 ( 3.4A)
L9R  A 301 ( 3.5A)
 0.95A 2bteD-3m7oA:
undetectable		 2bteD-3m7oA:
9.79
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.
2HRC_B_CHDB1603_0
(FERROCHELATASE)		 2bpq ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE
(Mycobacterium
tuberculosis) 		4 / 5 MET A 230
LEU A 144
PRO A  74
MET A  69
 None
None
BEN  A1369 ( 4.2A)
None
 1.35A 2hrcB-2bpqA:
1.6		 2hrcB-2bpqA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2O4K_A_DR7A301_1
(PROTEASE)		 6b74 COAGULATION FACTOR
XII
(Homo
sapiens) 		5 / 12 ARG B  73
ASP B 194
ALA B 190
GLY B  18
GLY B  19
 SO4  B 305 (-3.8A)
None
BEN  B 301 (-4.1A)
None
None
 1.11A 2o4kA-6b74B:
undetectable		 2o4kA-6b74B:
18.18
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)		 1a0j TRYPSIN
(Salmo
salar) 		6 / 6 ASP A 189
SER A 190
SER A 195
VAL A 213
GLY A 216
GLY A 226
 BEN  A 246 (-3.0A)
BEN  A 246 (-3.0A)
SO4  A 248 ( 2.5A)
None
BEN  A 246 ( 3.9A)
BEN  A 246 (-3.3A)
 0.15A 2otvA-1a0jA:
41.6		 2otvA-1a0jA:
73.54
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)		 1h4w TRYPSIN IVA
(Homo
sapiens) 		6 / 6 ASP A 189
SER A 190
SER A 195
VAL A 213
GLY A 216
GLY A 226
 BEN  A 250 (-2.9A)
BEN  A 250 (-2.9A)
BEN  A 250 (-3.6A)
None
BEN  A 250 (-3.9A)
BEN  A 250 (-3.3A)
 0.18A 2otvA-1h4wA:
43.4		 2otvA-1h4wA:
72.65
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)		 1mbq TRYPSIN
(Oncorhynchus
keta) 		6 / 6 ASP A 189
SER A 190
SER A 195
VAL A 213
GLY A 216
GLY A 226
 BEN  A1222 (-2.9A)
BEN  A1222 (-2.9A)
BEN  A1222 (-3.5A)
None
BEN  A1222 (-3.9A)
BEN  A1222 (-3.4A)
 0.23A 2otvA-1mbqA:
41.1		 2otvA-1mbqA:
65.61
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)		 2eek TRYPSIN-1
(Gadus
morhua) 		6 / 6 ASP A 189
SER A 190
SER A 195
VAL A 213
GLY A 216
GLY A 226
 BEN  A 301 (-2.7A)
BEN  A 301 (-2.8A)
BEN  A 301 (-3.4A)
None
BEN  A 301 ( 3.8A)
BEN  A 301 (-3.2A)
 0.21A 2otvA-2eekA:
40.2		 2otvA-2eekA:
62.44
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.
2OTV_A_NCAA1301_0
(CATIONIC TRYPSIN)		 3beu TRYPSIN
(Streptomyces
griseus) 		5 / 6 ASP A 189
SER A 195
VAL A 213
GLY A 216
GLY A 226
 BEN  A 247 (-3.0A)
SO4  A 246 ( 2.5A)
None
BEN  A 247 (-3.7A)
BEN  A 247 (-3.5A)
 0.16A 2otvA-3beuA:
32.3		 2otvA-3beuA:
36.93
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.
2OTV_A_NCAA1301_0
(CATIONIC TRYPSIN)		 6b74 COAGULATION FACTOR
XII
(Homo
sapiens) 		4 / 6 ASP B 189
SER B 195
GLY B 216
GLY B 226
 BEN  B 301 (-2.7A)
SO4  B 304 ( 2.5A)
BEN  B 301 (-3.3A)
BEN  B 301 (-3.1A)
 0.22A 2otvA-6b74B:
13.7		 2otvA-6b74B:
undetectable
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))		 1a0j TRYPSIN
(Salmo
salar) 		7 / 12 ASP A 189
SER A 195
VAL A 213
TRP A 215
GLY A 216
GLY A 226
TYR A 228
 BEN  A 246 (-3.0A)
SO4  A 248 ( 2.5A)
None
None
BEN  A 246 ( 3.9A)
BEN  A 246 (-3.3A)
None
 0.26A 2p16A-1a0jA:
35.4		 2p16A-1a0jA:
36.71
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))		 1h4w TRYPSIN IVA
(Homo
sapiens) 		7 / 12 ASP A 189
SER A 195
VAL A 213
TRP A 215
GLY A 216
GLY A 226
TYR A 228
 BEN  A 250 (-2.9A)
BEN  A 250 (-3.6A)
None
None
BEN  A 250 (-3.9A)
BEN  A 250 (-3.3A)
None
 0.30A 2p16A-1h4wA:
35.8		 2p16A-1h4wA:
36.55
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))		 1mbq TRYPSIN
(Oncorhynchus
keta) 		7 / 12 ASP A 189
SER A 195
VAL A 213
TRP A 215
GLY A 216
GLY A 226
TYR A 228
 BEN  A1222 (-2.9A)
BEN  A1222 (-3.5A)
None
None
BEN  A1222 (-3.9A)
BEN  A1222 (-3.4A)
None
 0.36A 2p16A-1mbqA:
35.0		 2p16A-1mbqA:
37.45
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))		 2eek TRYPSIN-1
(Gadus
morhua) 		7 / 12 ASP A 189
SER A 195
VAL A 213
TRP A 215
GLY A 216
GLY A 226
TYR A 228
 BEN  A 301 (-2.7A)
BEN  A 301 (-3.4A)
None
None
BEN  A 301 ( 3.8A)
BEN  A 301 (-3.2A)
None
 0.31A 2p16A-2eekA:
34.9		 2p16A-2eekA:
35.32
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.
2P16_A_GG2A298_1
(COAGULATION FACTOR X
(EC 3.4.21.6)
(STUART FACTOR)
(STUART-PROWER
FACTOR))		 2pka KALLIKREIN A
(Sus
scrofa) 		6 / 12 TYR B  99
ASP B 189
SER B 195
TRP B 215
GLY B 216
TYR B 228
 None
BEN  B   1 (-3.0A)
BEN  B   1 ( 4.0A)
None
BEN  B   1 (-3.5A)
None
 0.70A 2p16A-2pkaB:
16.0		 2p16A-2pkaB:
22.63
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))		 3beu TRYPSIN
(Streptomyces
griseus) 		8 / 12 PHE A 174
ASP A 189
SER A 195
VAL A 213
TRP A 215
GLY A 216
GLY A 226
TYR A 228
 None
BEN  A 247 (-3.0A)
SO4  A 246 ( 2.5A)
None
None
BEN  A 247 (-3.7A)
BEN  A 247 (-3.5A)
None
 0.48A 2p16A-3beuA:
33.2		 2p16A-3beuA:
41.22
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.
2P16_A_GG2A298_1
(COAGULATION FACTOR X
(EC 3.4.21.6)
(STUART FACTOR)
(STUART-PROWER
FACTOR))		 6b74 COAGULATION FACTOR
XII
(Homo
sapiens) 		8 / 12 TYR B  99
ASP B 189
ALA B 190
SER B 195
TRP B 215
GLY B 216
GLY B 226
TYR B 228
 None
BEN  B 301 (-2.7A)
BEN  B 301 (-4.1A)
SO4  B 304 ( 2.5A)
None
BEN  B 301 (-3.3A)
BEN  B 301 (-3.1A)
None
 0.38A 2p16A-6b74B:
34.1		 2p16A-6b74B:
17.87
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.
2V0G_A_LEUA1887_0
(AMINOACYL-TRNA
SYNTHETASE)		 3m7o LYMPHOCYTE ANTIGEN
86
(Mus
musculus) 		4 / 8 TYR A 145
ASP A  84
SER A  98
TYR A  97
 BEN  A 165 (-3.4A)
BEN  A 163 ( 3.2A)
BEN  A 163 ( 3.4A)
L9R  A 301 ( 3.5A)
 0.94A 2v0gA-3m7oA:
undetectable		 2v0gA-3m7oA:
9.79
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)		 1a0j TRYPSIN
(Salmo
salar) 		6 / 8 ASP A 189
SER A 190
SER A 195
VAL A 213
GLY A 216
GLY A 226
 BEN  A 246 (-3.0A)
BEN  A 246 (-3.0A)
SO4  A 248 ( 2.5A)
None
BEN  A 246 ( 3.9A)
BEN  A 246 (-3.3A)
 0.25A 2vinA-1a0jA:
16.6		 2vinA-1a0jA:
37.35
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)		 1h4w TRYPSIN IVA
(Homo
sapiens) 		6 / 8 ASP A 189
SER A 190
SER A 195
VAL A 213
GLY A 216
GLY A 226
 BEN  A 250 (-2.9A)
BEN  A 250 (-2.9A)
BEN  A 250 (-3.6A)
None
BEN  A 250 (-3.9A)
BEN  A 250 (-3.3A)
 0.27A 2vinA-1h4wA:
15.5		 2vinA-1h4wA:
38.80
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)		 1mbq TRYPSIN
(Oncorhynchus
keta) 		7 / 8 ASP A 189
SER A 190
GLN A 192
SER A 195
VAL A 213
GLY A 216
GLY A 226
 BEN  A1222 (-2.9A)
BEN  A1222 (-2.9A)
None
BEN  A1222 (-3.5A)
None
BEN  A1222 (-3.9A)
BEN  A1222 (-3.4A)
 0.41A 2vinA-1mbqA:
17.4		 2vinA-1mbqA:
34.52
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)		 2eek TRYPSIN-1
(Gadus
morhua) 		6 / 8 ASP A 189
SER A 190
SER A 195
VAL A 213
GLY A 216
GLY A 226
 BEN  A 301 (-2.7A)
BEN  A 301 (-2.8A)
BEN  A 301 (-3.4A)
None
BEN  A 301 ( 3.8A)
BEN  A 301 (-3.2A)
 0.25A 2vinA-2eekA:
16.4		 2vinA-2eekA:
34.77
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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VIN_A_505A1247_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR CHAIN B)		 3beu TRYPSIN
(Streptomyces
griseus) 		6 / 8 ASP A 189
GLN A 192
SER A 195
VAL A 213
GLY A 216
GLY A 226
 BEN  A 247 (-3.0A)
SO4  A 246 ( 4.1A)
SO4  A 246 ( 2.5A)
None
BEN  A 247 (-3.7A)
BEN  A 247 (-3.5A)
 0.76A 2vinA-3beuA:
32.1		 2vinA-3beuA:
29.81
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)		 1a0j TRYPSIN
(Salmo
salar) 		8 / 12 ASP A 189
SER A 195
VAL A 213
TRP A 215
GLY A 216
GLY A 219
GLY A 226
TYR A 228
 BEN  A 246 (-3.0A)
SO4  A 248 ( 2.5A)
None
None
BEN  A 246 ( 3.9A)
None
BEN  A 246 (-3.3A)
None
 0.35A 2w26A-1a0jA:
14.0		 2w26A-1a0jA:
36.71
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)		 1h4w TRYPSIN IVA
(Homo
sapiens) 		8 / 12 ASP A 189
SER A 195
VAL A 213
TRP A 215
GLY A 216
GLY A 219
GLY A 226
TYR A 228
 BEN  A 250 (-2.9A)
BEN  A 250 (-3.6A)
None
None
BEN  A 250 (-3.9A)
None
BEN  A 250 (-3.3A)
None
 0.37A 2w26A-1h4wA:
18.2		 2w26A-1h4wA:
36.55
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)		 1mbq TRYPSIN
(Oncorhynchus
keta) 		8 / 12 ASP A 189
SER A 195
VAL A 213
TRP A 215
GLY A 216
GLY A 219
GLY A 226
TYR A 228
 BEN  A1222 (-2.9A)
BEN  A1222 (-3.5A)
None
None
BEN  A1222 (-3.9A)
None
BEN  A1222 (-3.4A)
None
 0.42A 2w26A-1mbqA:
14.4		 2w26A-1mbqA:
37.45
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)		 2eek TRYPSIN-1
(Gadus
morhua) 		8 / 12 ASP A 189
SER A 195
VAL A 213
TRP A 215
GLY A 216
GLY A 219
GLY A 226
TYR A 228
 BEN  A 301 (-2.7A)
BEN  A 301 (-3.4A)
None
None
BEN  A 301 ( 3.8A)
None
BEN  A 301 (-3.2A)
None
 0.35A 2w26A-2eekA:
13.9		 2w26A-2eekA:
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)		 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.
2W26_A_RIVA1001_1
(ACTIVATED FACTOR XA
HEAVY CHAIN)		 2pka KALLIKREIN A
(Sus
scrofa) 		5 / 12 ASP B 189
SER B 195
TRP B 215
GLY B 216
TYR B 228
 BEN  B   1 (-3.0A)
BEN  B   1 ( 4.0A)
None
BEN  B   1 (-3.5A)
None
 0.50A 2w26A-2pkaB:
14.8		 2w26A-2pkaB:
22.63
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.
2W26_A_RIVA1001_1
(ACTIVATED FACTOR XA
HEAVY CHAIN)		 2pka KALLIKREIN A
(Sus
scrofa) 		5 / 12 TYR B  99
ASP B 189
TRP B 215
GLY B 216
TYR B 228
 None
BEN  B   1 (-3.0A)
None
BEN  B   1 (-3.5A)
None
 0.51A 2w26A-2pkaB:
14.8		 2w26A-2pkaB:
22.63
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)		 3beu TRYPSIN
(Streptomyces
griseus) 		9 / 12 PHE A 174
ASP A 189
SER A 195
VAL A 213
TRP A 215
GLY A 216
GLY A 219
GLY A 226
TYR A 228
 None
BEN  A 247 (-3.0A)
SO4  A 246 ( 2.5A)
None
None
BEN  A 247 (-3.7A)
None
BEN  A 247 (-3.5A)
None
 0.37A 2w26A-3beuA:
33.0		 2w26A-3beuA:
41.22
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.
2W26_A_RIVA1001_1
(ACTIVATED FACTOR XA
HEAVY CHAIN)		 6b74 COAGULATION FACTOR
XII
(Homo
sapiens) 		9 / 12 TYR B  99
ASP B 189
ALA B 190
SER B 195
TRP B 215
GLY B 216
GLY B 219
GLY B 226
TYR B 228
 None
BEN  B 301 (-2.7A)
BEN  B 301 (-4.1A)
SO4  B 304 ( 2.5A)
None
BEN  B 301 (-3.3A)
SO4  B 307 ( 3.4A)
BEN  B 301 (-3.1A)
None
 0.58A 2w26A-6b74B:
34.1		 2w26A-6b74B:
17.87
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.
2Y01_B_Y00B601_1
(BETA-1 ADRENERGIC
RECEPTOR)		 3bb8 CDP-4-KETO-6-DEOXY-D
-GLUCOSE-3-DEHYDRASE
(Yersinia
pseudotuberculos
is) 		5 / 12 LEU A 168
THR A 408
SER A 355
PHE A 429
PHE A 433
 None
None
BEN  A   1 (-4.9A)
None
BEN  A   1 (-4.7A)
 1.47A 2y01B-3bb8A:
undetectable		 2y01B-3bb8A:
22.03
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)		 1a0j TRYPSIN
(Salmo
salar) 		8 / 11 HIS A  57
ASP A 189
SER A 190
GLN A 192
SER A 195
TRP A 215
GLY A 216
GLY A 226
 SO4  A 248 (-3.9A)
BEN  A 246 (-3.0A)
BEN  A 246 (-3.0A)
None
SO4  A 248 ( 2.5A)
None
BEN  A 246 ( 3.9A)
BEN  A 246 (-3.3A)
 0.61A 3gy3A-1a0jA:
40.0		 3gy3A-1a0jA:
73.54
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)		 1a0j TRYPSIN
(Salmo
salar) 		9 / 11 HIS A  57
LEU A  99
GLN A 175
ASP A 189
SER A 190
SER A 195
TRP A 215
GLY A 216
GLY A 226
 SO4  A 248 (-3.9A)
None
None
BEN  A 246 (-3.0A)
BEN  A 246 (-3.0A)
SO4  A 248 ( 2.5A)
None
BEN  A 246 ( 3.9A)
BEN  A 246 (-3.3A)
 0.45A 3gy3A-1a0jA:
40.0		 3gy3A-1a0jA:
73.54
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)		 1h4w TRYPSIN IVA
(Homo
sapiens) 		9 / 11 HIS A  57
LEU A  99
ASP A 189
SER A 190
GLN A 192
SER A 195
TRP A 215
GLY A 216
GLY A 226
 None
None
BEN  A 250 (-2.9A)
BEN  A 250 (-2.9A)
BEN  A 250 (-3.8A)
BEN  A 250 (-3.6A)
None
BEN  A 250 (-3.9A)
BEN  A 250 (-3.3A)
 0.69A 3gy3A-1h4wA:
41.4		 3gy3A-1h4wA:
72.65
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)		 1mbq TRYPSIN
(Oncorhynchus
keta) 		7 / 11 HIS A  57
ASP A 189
SER A 190
SER A 195
TRP A 215
GLY A 216
GLY A 226
 None
BEN  A1222 (-2.9A)
BEN  A1222 (-2.9A)
BEN  A1222 (-3.5A)
None
BEN  A1222 (-3.9A)
BEN  A1222 (-3.4A)
 0.34A 3gy3A-1mbqA:
39.9		 3gy3A-1mbqA:
65.61
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)		 2eek TRYPSIN-1
(Gadus
morhua) 		8 / 11 HIS A  57
ASP A 189
SER A 190
GLN A 192
SER A 195
TRP A 215
GLY A 216
GLY A 226
 None
BEN  A 301 (-2.7A)
BEN  A 301 (-2.8A)
BEN  A 301 (-4.1A)
BEN  A 301 (-3.4A)
None
BEN  A 301 ( 3.8A)
BEN  A 301 (-3.2A)
 0.42A 3gy3A-2eekA:
40.6		 3gy3A-2eekA:
62.44
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.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		 2pka KALLIKREIN A
KALLIKREIN A
(Sus
scrofa;
Sus
scrofa) 		5 / 11 HIS A  57
ASP B 189
SER B 195
TRP B 215
GLY B 216
 None
BEN  B   1 (-3.0A)
BEN  B   1 ( 4.0A)
None
BEN  B   1 (-3.5A)
 0.38A 3gy3A-2pkaA:
10.7		 3gy3A-2pkaA:
22.07
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)		 3beu TRYPSIN
(Streptomyces
griseus) 		6 / 11 HIS A  57
ASP A 189
SER A 195
TRP A 215
GLY A 216
GLY A 226
 SO4  A 246 ( 3.8A)
BEN  A 247 (-3.0A)
SO4  A 246 ( 2.5A)
None
BEN  A 247 (-3.7A)
BEN  A 247 (-3.5A)
 0.33A 3gy3A-3beuA:
32.2		 3gy3A-3beuA:
36.93
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.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		 6b74 COAGULATION FACTOR
XII
(Homo
sapiens) 		6 / 11 HIS B  57
ASP B 189
SER B 195
TRP B 215
GLY B 216
GLY B 226
 SO4  B 304 (-3.8A)
BEN  B 301 (-2.7A)
SO4  B 304 ( 2.5A)
None
BEN  B 301 (-3.3A)
BEN  B 301 (-3.1A)
 0.31A 3gy3A-6b74B:
13.7		 3gy3A-6b74B:
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.
3IB2_A_IBPA3960_1
(LACTOTRANSFERRIN)		 5uni NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA
(Thermus
thermophilus) 		4 / 4 GLY B 222
VAL B 225
GLY B 113
THR B 112
 None
BEN  B 310 (-4.3A)
PEG  B 306 (-3.6A)
None
 0.94A 3ib2A-5uniB:
undetectable		 3ib2A-5uniB:
21.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QXT_A_MTXA2000_1
(ANTI-METHOTREXATE
CDR1-3 GRAFT VHH)		 3tpk IMMUNOGLOBULIN HEAVY
CHAIN ANTIBODY
VARIABLE DOMAIN KW1
(Camelidae) 		5 / 12 VAL A   2
ALA A  24
ASN A  77
VAL A  79
ALA A  98
 None
BEN  A 133 (-3.6A)
BEN  A 133 (-3.3A)
BEN  A 133 (-4.6A)
BEN  A 133 ( 4.2A)
 0.76A 3qxtA-3tpkA:
20.9		 3qxtA-3tpkA:
64.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QXT_B_MTXB2000_1
(ANTI-METHOTREXATE
CDR1-3 GRAFT VHH)		 3tpk IMMUNOGLOBULIN HEAVY
CHAIN ANTIBODY
VARIABLE DOMAIN KW1
(Camelidae) 		6 / 12 VAL A   2
LEU A   4
ALA A  24
VAL A  79
ALA A  98
TYR A 110
 None
BEN  A 133 (-4.7A)
BEN  A 133 (-3.6A)
BEN  A 133 (-4.6A)
BEN  A 133 ( 4.2A)
None
 0.78A 3qxtB-3tpkA:
21.0		 3qxtB-3tpkA:
64.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QXV_A_MTXA2000_1
(ANTI-METHOTREXATE
CDR1-4 GRAFT VHH)		 3tpk IMMUNOGLOBULIN HEAVY
CHAIN ANTIBODY
VARIABLE DOMAIN KW1
(Camelidae) 		6 / 12 VAL A   2
ALA A  24
ASN A  74
VAL A  79
ALA A  98
TYR A 110
 None
BEN  A 133 (-3.6A)
None
BEN  A 133 (-4.6A)
BEN  A 133 ( 4.2A)
None
 1.30A 3qxvA-3tpkA:
20.3		 3qxvA-3tpkA:
64.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QXV_D_MTXD2000_1
(ANTI-METHOTREXATE
CDR1-4 GRAFT VHH)		 3tpk IMMUNOGLOBULIN HEAVY
CHAIN ANTIBODY
VARIABLE DOMAIN KW1
(Camelidae) 		5 / 12 VAL A   2
ALA A  24
VAL A  79
ALA A  98
TYR A 110
 None
BEN  A 133 (-3.6A)
BEN  A 133 (-4.6A)
BEN  A 133 ( 4.2A)
None
 0.92A 3qxvD-3tpkA:
20.3		 3qxvD-3tpkA:
64.06
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)		 1a0j TRYPSIN
(Salmo
salar) 		6 / 6 SER A 190
SER A 195
VAL A 213
TRP A 215
GLY A 216
GLY A 226
 BEN  A 246 (-3.0A)
SO4  A 248 ( 2.5A)
None
None
BEN  A 246 ( 3.9A)
BEN  A 246 (-3.3A)
 0.32A 3rxfA-1a0jA:
41.6		 3rxfA-1a0jA:
73.54
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)		 1h4w TRYPSIN IVA
(Homo
sapiens) 		6 / 6 SER A 190
SER A 195
VAL A 213
TRP A 215
GLY A 216
GLY A 226
 BEN  A 250 (-2.9A)
BEN  A 250 (-3.6A)
None
None
BEN  A 250 (-3.9A)
BEN  A 250 (-3.3A)
 0.23A 3rxfA-1h4wA:
43.3		 3rxfA-1h4wA:
72.65
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)		 1mbq TRYPSIN
(Oncorhynchus
keta) 		6 / 6 SER A 190
SER A 195
VAL A 213
TRP A 215
GLY A 216
GLY A 226
 BEN  A1222 (-2.9A)
BEN  A1222 (-3.5A)
None
None
BEN  A1222 (-3.9A)
BEN  A1222 (-3.4A)
 0.30A 3rxfA-1mbqA:
41.2		 3rxfA-1mbqA:
65.61
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)		 2eek TRYPSIN-1
(Gadus
morhua) 		6 / 6 SER A 190
SER A 195
VAL A 213
TRP A 215
GLY A 216
GLY A 226
 BEN  A 301 (-2.8A)
BEN  A 301 (-3.4A)
None
None
BEN  A 301 ( 3.8A)
BEN  A 301 (-3.2A)
 0.24A 3rxfA-2eekA:
40.8		 3rxfA-2eekA:
62.44
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.
3RXF_A_4APA9_1
(CATIONIC TRYPSIN)		 3beu TRYPSIN
(Streptomyces
griseus) 		5 / 6 SER A 195
VAL A 213
TRP A 215
GLY A 216
GLY A 226
 SO4  A 246 ( 2.5A)
None
None
BEN  A 247 (-3.7A)
BEN  A 247 (-3.5A)
 0.25A 3rxfA-3beuA:
17.4		 3rxfA-3beuA:
36.93
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.
3RXF_A_4APA9_1
(CATIONIC TRYPSIN)		 6b74 COAGULATION FACTOR
XII
(Homo
sapiens) 		4 / 6 SER B 195
TRP B 215
GLY B 216
GLY B 226
 SO4  B 304 ( 2.5A)
None
BEN  B 301 (-3.3A)
BEN  B 301 (-3.1A)
 0.24A 3rxfA-6b74B:
14.3		 3rxfA-6b74B:
16.74
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)		 1a0j TRYPSIN
(Salmo
salar) 		5 / 5 ASP A 189
SER A 190
SER A 195
VAL A 213
GLY A 226
 BEN  A 246 (-3.0A)
BEN  A 246 (-3.0A)
SO4  A 248 ( 2.5A)
None
BEN  A 246 (-3.3A)
 0.31A 3rxhA-1a0jA:
41.5		 3rxhA-1a0jA:
73.54
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)		 1h4w TRYPSIN IVA
(Homo
sapiens) 		5 / 5 ASP A 189
SER A 190
SER A 195
VAL A 213
GLY A 226
 BEN  A 250 (-2.9A)
BEN  A 250 (-2.9A)
BEN  A 250 (-3.6A)
None
BEN  A 250 (-3.3A)
 0.24A 3rxhA-1h4wA:
43.3		 3rxhA-1h4wA:
72.65
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)		 1mbq TRYPSIN
(Oncorhynchus
keta) 		5 / 5 ASP A 189
SER A 190
SER A 195
VAL A 213
GLY A 226
 BEN  A1222 (-2.9A)
BEN  A1222 (-2.9A)
BEN  A1222 (-3.5A)
None
BEN  A1222 (-3.4A)
 0.30A 3rxhA-1mbqA:
41.2		 3rxhA-1mbqA:
65.61
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)		 2eek TRYPSIN-1
(Gadus
morhua) 		5 / 5 ASP A 189
SER A 190
SER A 195
VAL A 213
GLY A 226
 BEN  A 301 (-2.7A)
BEN  A 301 (-2.8A)
BEN  A 301 (-3.4A)
None
BEN  A 301 (-3.2A)
 0.28A 3rxhA-2eekA:
40.8		 3rxhA-2eekA:
62.44
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
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)		 3beu TRYPSIN
(Streptomyces
griseus) 		4 / 5 ASP A 189
SER A 195
VAL A 213
GLY A 226
 BEN  A 247 (-3.0A)
SO4  A 246 ( 2.5A)
None
BEN  A 247 (-3.5A)
 0.34A 3rxhA-3beuA:
32.2		 3rxhA-3beuA:
36.93
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.
4A99_D_MIYD392_1
(TETX2 PROTEIN)		 3bb8 CDP-4-KETO-6-DEOXY-D
-GLUCOSE-3-DEHYDRASE
(Yersinia
pseudotuberculos
is) 		4 / 5 SER A 355
GLN A 407
SER A 358
VAL A 357
 BEN  A   1 (-4.9A)
None
None
BEN  A   1 ( 4.3A)
 1.41A 4a99D-3bb8A:
undetectable		 4a99D-3bb8A:
21.48
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)		 1mbq TRYPSIN
(Oncorhynchus
keta) 		4 / 5 HIS A  57
GLN A 192
GLY A 193
SER A 195
 None
None
None
BEN  A1222 (-3.5A)
 0.60A 4fu8A-1mbqA:
33.9		 4fu8A-1mbqA:
34.96
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)		 2eek TRYPSIN-1
(Gadus
morhua) 		4 / 5 HIS A  57
GLN A 192
GLY A 193
SER A 195
 None
BEN  A 301 (-4.1A)
None
BEN  A 301 (-3.4A)
 0.86A 4fu8A-2eekA:
15.5		 4fu8A-2eekA:
35.20
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_B_15UB402_1
(PROTHROMBIN)		 1a0j TRYPSIN
(Salmo
salar) 		5 / 12 HIS A  57
LEU A  99
ASP A 189
GLY A 216
GLY A 226
 SO4  A 248 (-3.9A)
None
BEN  A 246 (-3.0A)
BEN  A 246 ( 3.9A)
BEN  A 246 (-3.3A)
 0.33A 4hfpB-1a0jA:
34.4		 4hfpB-1a0jA:
37.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HFP_B_15UB402_1
(PROTHROMBIN)		 1h4w TRYPSIN IVA
(Homo
sapiens) 		5 / 12 HIS A  57
LEU A  99
ASP A 189
GLY A 216
GLY A 226
 None
None
BEN  A 250 (-2.9A)
BEN  A 250 (-3.9A)
BEN  A 250 (-3.3A)
 0.31A 4hfpB-1h4wA:
34.4		 4hfpB-1h4wA:
36.82
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)		 1a0j TRYPSIN
(Salmo
salar) 		6 / 12 HIS A  57
LEU A  99
ASP A 189
VAL A 213
TRP A 215
GLY A 226
 SO4  A 248 (-3.9A)
None
BEN  A 246 (-3.0A)
None
None
BEN  A 246 (-3.3A)
 0.38A 4hfpD-1a0jA:
33.7		 4hfpD-1a0jA:
37.35
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)		 1h4w TRYPSIN IVA
(Homo
sapiens) 		6 / 12 HIS A  57
LEU A  99
ASP A 189
VAL A 213
TRP A 215
GLY A 226
 None
None
BEN  A 250 (-2.9A)
None
None
BEN  A 250 (-3.3A)
 0.34A 4hfpD-1h4wA:
33.9		 4hfpD-1h4wA:
36.82
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)		 1mbq TRYPSIN
(Oncorhynchus
keta) 		5 / 12 HIS A  57
ASP A 189
VAL A 213
TRP A 215
GLY A 226
 None
BEN  A1222 (-2.9A)
None
None
BEN  A1222 (-3.4A)
 0.28A 4hfpD-1mbqA:
33.6		 4hfpD-1mbqA:
37.25
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)		 2eek TRYPSIN-1
(Gadus
morhua) 		5 / 12 HIS A  57
ASP A 189
VAL A 213
TRP A 215
GLY A 226
 None
BEN  A 301 (-2.7A)
None
None
BEN  A 301 (-3.2A)
 0.29A 4hfpD-2eekA:
33.0		 4hfpD-2eekA:
37.98
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
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)		 3beu TRYPSIN
(Streptomyces
griseus) 		5 / 12 HIS A  57
ASP A 189
VAL A 213
TRP A 215
GLY A 226
 SO4  A 246 ( 3.8A)
BEN  A 247 (-3.0A)
None
None
BEN  A 247 (-3.5A)
 0.22A 4hfpD-3beuA:
31.3		 4hfpD-3beuA:
33.72
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.
4HFP_D_15UD402_1
(PROTHROMBIN)		 6b74 COAGULATION FACTOR
XII
(Homo
sapiens) 		5 / 12 HIS B  57
ASP B 189
ALA B 190
TRP B 215
GLY B 226
 SO4  B 304 (-3.8A)
BEN  B 301 (-2.7A)
BEN  B 301 (-4.1A)
None
BEN  B 301 (-3.1A)
 0.44A 4hfpD-6b74B:
34.3		 4hfpD-6b74B:
16.87
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)		 1a0j TRYPSIN
(Salmo
salar) 		6 / 12 HIS A  57
LEU A  99
VAL A 213
TRP A 215
GLY A 216
GLY A 226
 SO4  A 248 (-3.9A)
None
None
None
BEN  A 246 ( 3.9A)
BEN  A 246 (-3.3A)
 0.33A 4rn6B-1a0jA:
28.3		 4rn6B-1a0jA:
37.35
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)		 1h4w TRYPSIN IVA
(Homo
sapiens) 		6 / 12 HIS A  57
LEU A  99
VAL A 213
TRP A 215
GLY A 216
GLY A 226
 None
None
None
None
BEN  A 250 (-3.9A)
BEN  A 250 (-3.3A)
 0.34A 4rn6B-1h4wA:
28.8		 4rn6B-1h4wA:
36.82
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)		 1mbq TRYPSIN
(Oncorhynchus
keta) 		5 / 12 HIS A  57
VAL A 213
TRP A 215
GLY A 216
GLY A 226
 None
None
None
BEN  A1222 (-3.9A)
BEN  A1222 (-3.4A)
 0.33A 4rn6B-1mbqA:
28.3		 4rn6B-1mbqA:
37.25
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)		 2eek TRYPSIN-1
(Gadus
morhua) 		5 / 12 HIS A  57
VAL A 213
TRP A 215
GLY A 216
GLY A 226
 None
None
None
BEN  A 301 ( 3.8A)
BEN  A 301 (-3.2A)
 0.29A 4rn6B-2eekA:
27.8		 4rn6B-2eekA:
37.98
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
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)		 3beu TRYPSIN
(Streptomyces
griseus) 		5 / 12 HIS A  57
VAL A 213
TRP A 215
GLY A 216
GLY A 226
 SO4  A 246 ( 3.8A)
None
None
BEN  A 247 (-3.7A)
BEN  A 247 (-3.5A)
 0.29A 4rn6B-3beuA:
26.5		 4rn6B-3beuA:
30.10
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.
4RN6_B_15UB301_1
(THROMBIN HEAVY CHAIN)		 6b74 COAGULATION FACTOR
XII
(Homo
sapiens) 		5 / 12 HIS B  57
ALA B 190
TRP B 215
GLY B 216
GLY B 226
 SO4  B 304 (-3.8A)
BEN  B 301 (-4.1A)
None
BEN  B 301 (-3.3A)
BEN  B 301 (-3.1A)
 0.71A 4rn6B-6b74B:
29.1		 4rn6B-6b74B:
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.
4XP1_A_LDPA708_1
(DOPAMINE
TRANSPORTER, ISOFORM
B)		 3b3j HISTONE-ARGININE
METHYLTRANSFERASE
CARM1
(Rattus
norvegicus) 		5 / 10 PHE A 360
VAL A 293
ASP A 292
TYR A 356
GLY A 291
 BEN  A6001 (-4.8A)
BEN  A6001 ( 4.8A)
None
None
BEN  A6001 (-3.5A)
 1.22A 4xp1A-3b3jA:
undetectable		 4xp1A-3b3jA:
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.
5DQF_A_CZEA613_1
(SERUM ALBUMIN)		 1nsa PROCARBOXYPEPTIDASE
B
(Sus
scrofa) 		5 / 9 ALA A 250
ASP A 255
LEU A 203
GLY A 243
GLU A 270
 BEN  A   1 (-3.4A)
BEN  A   1 (-3.1A)
None
None
ZN  A 501 ( 4.9A)
 1.21A 5dqfA-1nsaA:
undetectable		 5dqfA-1nsaA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ESK_A_1YNA701_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3b3j HISTONE-ARGININE
METHYLTRANSFERASE
CARM1
(Rattus
norvegicus) 		5 / 12 GLY A 195
LEU A 270
ILE A 371
PHE A 360
GLY A 291
 None
None
None
BEN  A6001 (-4.8A)
BEN  A6001 (-3.5A)
 0.98A 5eskA-3b3jA:
undetectable		 5eskA-3b3jA:
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		 3b3j HISTONE-ARGININE
METHYLTRANSFERASE
CARM1
(Rattus
norvegicus) 		4 / 5 PRO A 374
LEU A 467
TYR A 449
PHE A 265
 None
BEN  A1001 (-4.5A)
BEN  A6001 ( 4.1A)
BEN  A4001 ( 4.0A)
 1.49A 5igjA-3b3jA:
1.0		 5igjA-3b3jA:
20.33
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.
5MUG_A_VIVA301_1
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 2pka KALLIKREIN A
KALLIKREIN A
(Sus
scrofa;
Sus
scrofa) 		3 / 3 SER B 214
SER B 195
PHE A  94
 None
BEN  B   1 ( 4.0A)
None
 0.83A 5mugA-2pkaB:
undetectable		 5mugA-2pkaB:
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.
5N5D_A_SAMA306_1
(METHYLTRANSFERASE)		 1nsa PROCARBOXYPEPTIDASE
B
(Sus
scrofa) 		4 / 7 SER A 207
ILE A 202
GLU A 270
ASP A 255
 BEN  A   1 (-3.5A)
None
ZN  A 501 ( 4.9A)
BEN  A   1 (-3.1A)
 1.01A 5n5dA-1nsaA:
undetectable		 5n5dA-1nsaA:
20.65
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.
5NWV_A_ACAA18_2
(SCRFP-TAG,GP41)		 5uni NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA
(Thermus
thermophilus) 		4 / 7 GLN B 153
LEU B 196
ALA B 135
LEU B 139
 BEN  B 312 (-4.3A)
None
None
None
 1.11A 5nwvA-5uniB:
undetectable		 5nwvA-5uniB:
10.76
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.
5UBB_A_SAMA301_1
(ALPHA N-TERMINAL
PROTEIN
METHYLTRANSFERASE 1B)		 5vnx 8-AMINO-7-OXONONANOA
TE SYNTHASE
(Burkholderia
multivorans) 		4 / 5 GLY A 186
ARG A 309
ASP A 185
MET A 184
 None
None
EDO  A 606 (-3.8A)
BEN  A 601 ( 4.5A)
 1.41A 5ubbA-5vnxA:
2.3		 5ubbA-5vnxA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6A4I_A_TRPA403_0
(TRYPTOPHAN
2,3-DIOXYGENASE)		 5auk FERREDOXIN-1
(Synechocystis
sp.
PCC
6803) 		4 / 8 GLU A  93
THR A   9
PRO A  10
PRO A  36
 BEN  A 109 (-4.5A)
BEN  A 105 ( 3.8A)
BEN  A 109 (-4.7A)
None
 0.91A 6a4iA-5aukA:
undetectable		 6a4iA-5aukA:
10.58
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.
6DJZ_A_GMJA301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 5auk FERREDOXIN-1
(Synechocystis
sp.
PCC
6803) 		4 / 6 SER A  45
ASP A  94
GLN A  68
GLU A  93
 None
None
None
BEN  A 109 (-4.5A)
 1.34A 6djzA-5aukA:
undetectable		 6djzA-5aukA:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 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_H_PCFH604_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 8
CYTOCHROME C OXIDASE
POLYPEPTIDE 5A,
MITOCHONDRIAL)		 1a0j TRYPSIN
(Salmo
salar) 		4 / 8 GLY A 216
GLY A 193
SER A 195
ALA A  55
 BEN  A 246 ( 3.9A)
SO4  A 248 (-3.8A)
SO4  A 248 ( 2.5A)
None
 0.79A 6hu9H-1a0jA:
0.0
6hu9e-1a0jA:
undetectable		 6hu9H-1a0jA:
17.33
6hu9e-1a0jA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HU9_H_PCFH604_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 8
CYTOCHROME C OXIDASE
POLYPEPTIDE 5A,
MITOCHONDRIAL)		 3beu TRYPSIN
(Streptomyces
griseus) 		4 / 8 GLY A 216
GLY A 193
SER A 195
ALA A  55
 BEN  A 247 (-3.7A)
SO4  A 246 (-3.6A)
SO4  A 246 ( 2.5A)
None
 0.79A 6hu9H-3beuA:
undetectable
6hu9e-3beuA:
undetectable		 6hu9H-3beuA:
17.06
6hu9e-3beuA:
20.64