SIMILAR PATTERNS OF AMINO ACIDS FOR 1BCU_H_PRLH280

List of similar pattern of amino acids derived from ASSAM search

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 link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. 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.
1a0j TRYPSIN

(Salmo salar) 		PF00089
(Trypsin) 		6 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.
1a5i PLASMINOGEN
ACTIVATOR

(Desmodus
rotundus) 		PF00089
(Trypsin) 		6 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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1afq BOVINE
GAMMA-CHYMOTRYPSIN

(Bos taurus) 		PF00089
(Trypsin) 		5 SER C 195
VAL C 213
TRP C 215
GLY C 216
GLY C 226
 0FG  C 301 ( 3.0A)
None
None
0FG  C 301 (-3.4A)
0FG  C 301 ( 4.4A)
 0.26A 1bcuH-1afqC:
9.7		 1bcuH-1afqC:
20.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bqy PLASMINOGEN
ACTIVATOR

(Trimeresurus
stejnegeri) 		PF00089
(Trypsin) 		6 ASP A 189
SER A 195
VAL A 213
TRP A 215
GLY A 216
GLY A 226
 0GJ  A   1 (-3.1A)
0GJ  A   1 ( 1.4A)
None
None
0GJ  A   1 (-3.5A)
0GJ  A   1 ( 4.3A)
 0.33A 1bcuH-1bqyA:
17.3		 1bcuH-1bqyA:
33.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dlk THROMBIN HEAVY CHAIN

(Bos taurus) 		PF00089
(Trypsin) 		5 SER B 195
VAL B 213
TRP B 215
GLY B 216
GLY B 226
 None
 0.26A 1bcuH-1dlkB:
35.3		 1bcuH-1dlkB:
35.52
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.
1dp2 RHODANESE

(Bos taurus) 		PF00581
(Rhodanese) 		5 ASP A  99
ALA A 108
VAL A 125
GLY A 104
GLY A 129
 None
 1.19A 1bcuH-1dp2A:
undetectable		 1bcuH-1dp2A:
21.10
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.
1elv COMPLEMENT C1S
COMPONENT

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		6 ASP A 611
SER A 617
VAL A 638
TRP A 640
GLY A 641
GLY A 648
 None
SO4  A2001 ( 2.7A)
None
None
None
None
 0.40A 1bcuH-1elvA:
32.3		 1bcuH-1elvA:
28.29
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.
1ept PORCINE E-TRYPSIN

(Sus scrofa) 		PF00089
(Trypsin) 		6 ASP C 189
SER C 195
VAL C 213
TRP C 215
GLY C 216
GLY C 226
 None
 0.41A 1bcuH-1eptC:
10.3		 1bcuH-1eptC:
22.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fiw BETA-ACROSIN HEAVY
CHAIN

(Ovis aries) 		PF00089
(Trypsin) 		5 ASP A 189
SER A 195
TRP A 215
GLY A 216
GLY A 226
 PBZ  A 305 (-2.7A)
PBZ  A 305 (-2.9A)
None
PBZ  A 305 (-3.4A)
PBZ  A 305 (-3.3A)
 0.38A 1bcuH-1fiwA:
35.4		 1bcuH-1fiwA:
31.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fiz BETA-ACROSIN HEAVY
CHAIN

(Sus scrofa) 		PF00089
(Trypsin) 		5 ASP A 189
SER A 195
TRP A 215
GLY A 216
GLY A 226
 PBZ  A 308 (-2.9A)
PBZ  A 308 (-3.2A)
None
PBZ  A 308 (-3.6A)
PBZ  A 308 ( 3.7A)
 0.52A 1bcuH-1fizA:
17.5		 1bcuH-1fizA:
35.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fxy COAGULATION FACTOR
XA-TRYPSIN CHIMERA

(Homo sapiens) 		PF00089
(Trypsin) 		6 ASP A 189
SER A 195
VAL A 213
TRP A 215
GLY A 216
GLY A 226
 0G6  A   1 (-2.8A)
0G6  A   1 (-1.4A)
None
None
0G6  A   1 (-3.9A)
0G6  A   1 (-3.3A)
 0.47A 1bcuH-1fxyA:
18.3		 1bcuH-1fxyA:
37.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gvl KALLIKREIN 6

(Homo sapiens) 		PF00089
(Trypsin) 		5 SER A 195
VAL A 213
TRP A 215
GLY A 216
GLY A 226
 None
 0.70A 1bcuH-1gvlA:
10.2		 1bcuH-1gvlA:
37.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1h4w TRYPSIN IVA

(Homo sapiens) 		PF00089
(Trypsin) 		6 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.
1h9h TRYPSIN

(Sus scrofa) 		PF00089
(Trypsin) 		6 ASP E 189
SER E 195
VAL E 213
TRP E 215
GLY E 216
GLY E 226
 None
 0.43A 1bcuH-1h9hE:
18.4		 1bcuH-1h9hE:
38.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1id5 THROMBIN

(Bos taurus) 		PF00089
(Trypsin) 		7 ASP H 189
ALA H 190
GLU H 192
VAL H 213
TRP H 215
GLY H 216
GLY H 226
 None
 0.41A 1bcuH-1id5H:
43.3		 1bcuH-1id5H:
87.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1id5 THROMBIN

(Bos taurus) 		PF00089
(Trypsin) 		7 ASP H 189
ALA H 190
SER H 195
VAL H 213
TRP H 215
GLY H 216
GLY H 226
 None
 0.45A 1bcuH-1id5H:
43.3		 1bcuH-1id5H:
87.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1j17 TRYPSIN II, ANIONIC

(Rattus
norvegicus) 		PF00089
(Trypsin) 		7 ASP T 189
ALA T 190
SER T 195
VAL T 213
TRP T 215
GLY T 216
GLY T 226
 ZEN  T   1 ( 3.8A)
ZEN  T   1 (-3.8A)
SO4  T 600 ( 2.6A)
ZEN  T   1 (-4.1A)
ZEN  T   1 (-3.4A)
ZEN  T   1 (-3.7A)
ZEN  T   1 (-3.7A)
 0.32A 1bcuH-1j17T:
18.7		 1bcuH-1j17T:
37.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kig FACTOR XA

(Bos taurus) 		PF00089
(Trypsin) 		7 ASP H 189
ALA H 190
SER H 195
VAL H 213
TRP H 215
GLY H 216
GLY H 226
 None
 0.42A 1bcuH-1kigH:
35.3		 1bcuH-1kigH:
39.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mbq TRYPSIN

(Oncorhynchus
keta) 		PF00089
(Trypsin) 		6 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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n5x XANTHINE
DEHYDROGENASE

(Bos taurus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 ASP A 429
ALA A 338
VAL A 342
GLY A  47
GLY A 145
 FAD  A3005 (-4.1A)
FAD  A3005 (-3.5A)
None
FAD  A3005 (-4.0A)
None
 1.04A 1bcuH-1n5xA:
undetectable		 1bcuH-1n5xA:
11.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1npm NEUROPSIN

(Mus musculus) 		PF00089
(Trypsin) 		5 ASP A 189
SER A 195
TRP A 215
GLY A 216
GLY A 226
 None
 0.29A 1bcuH-1npmA:
17.9		 1bcuH-1npmA:
33.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1o5f SERINE PROTEASE
HEPSIN

(Homo sapiens) 		PF00089
(Trypsin) 		7 ASP H 189
ALA H 190
SER H 195
VAL H 213
TRP H 215
GLY H 216
GLY H 226
 CR9  H 256 (-2.4A)
CR9  H 256 (-2.9A)
CR9  H 256 (-1.5A)
CR9  H 256 (-4.3A)
None
CR9  H 256 ( 3.8A)
CR9  H 256 (-3.0A)
 0.32A 1bcuH-1o5fH:
35.7		 1bcuH-1o5fH:
40.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1op2 VENOM SERINE
PROTEINASE

(Deinagkistrodon
acutus) 		PF00089
(Trypsin) 		5 ASP A 189
SER A 195
VAL A 213
GLY A 216
GLY A 226
 None
 0.23A 1bcuH-1op2A:
16.4		 1bcuH-1op2A:
32.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pfx FACTOR IXA

(Sus scrofa) 		PF00089
(Trypsin) 		5 ASP C 189
SER C 195
TRP C 215
GLY C 216
GLY C 226
 0G6  C 301 (-3.0A)
0G6  C 301 (-1.4A)
None
0G6  C 301 (-3.2A)
0G6  C 301 ( 3.5A)
 0.49A 1bcuH-1pfxC:
34.2		 1bcuH-1pfxC:
37.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pq5 TRYPSIN

(Fusarium
oxysporum) 		PF00089
(Trypsin) 		6 ASP A 189
SER A 195
VAL A 210
TRP A 212
GLY A 213
GLY A 223
 ARG  A 703 (-2.0A)
ARG  A 703 (-2.3A)
ARG  A 703 (-4.5A)
None
ARG  A 703 ( 3.7A)
ARG  A 703 (-2.6A)
 0.40A 1bcuH-1pq5A:
33.3		 1bcuH-1pq5A:
34.87
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.
1q3x MANNAN-BINDING
LECTIN SERINE
PROTEASE 2

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		6 ASP A 627
SER A 633
VAL A 653
TRP A 655
GLY A 656
GLY A 667
 NA  A 800 ( 4.6A)
GOL  A 701 (-3.0A)
GOL  A 701 (-4.9A)
None
GOL  A 701 ( 4.1A)
GOL  A 701 ( 4.0A)
 0.43A 1bcuH-1q3xA:
35.9		 1bcuH-1q3xA:
28.95
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.
1rk2 RIBOKINASE

(Escherichia
coli) 		PF00294
(PfkB) 		5 ALA A 209
GLU A 214
VAL A 220
GLY A 235
GLY A 237
 None
 1.17A 1bcuH-1rk2A:
undetectable		 1bcuH-1rk2A:
20.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1sgf NERVE GROWTH FACTOR

(Mus musculus) 		PF00089
(Trypsin) 		5 ASP G 189
SER G 195
TRP G 215
GLY G 216
GLY G 226
 None
 0.33A 1bcuH-1sgfG:
17.3		 1bcuH-1sgfG:
32.23
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.
1ur4 GALACTANASE

(Bacillus
licheniformis) 		PF07745
(Glyco_hydro_53) 		5 GLU A  38
VAL A 327
TRP A 324
GLY A 346
GLY A 366
 None
 1.32A 1bcuH-1ur4A:
undetectable		 1bcuH-1ur4A:
21.18
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.
1ur4 GALACTANASE

(Bacillus
licheniformis) 		PF07745
(Glyco_hydro_53) 		5 SER A  39
VAL A 327
TRP A 324
GLY A 346
GLY A 366
 None
 1.01A 1bcuH-1ur4A:
undetectable		 1bcuH-1ur4A:
21.18
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.
1xb2 ELONGATION FACTOR
TS, MITOCHONDRIAL

(Bos taurus) 		PF00889
(EF_TS) 		5 GLU B 117
SER B 142
GLY B 245
CYH B 328
GLY B 121
 None
 1.22A 1bcuH-1xb2B:
undetectable		 1bcuH-1xb2B:
19.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ym0 FIBRINOTIC ENZYME
COMPONENT B

(Eisenia fetida) 		PF00089
(Trypsin) 		6 ASP A 189
SER A 195
VAL A 213
TRP A 215
GLY A 216
GLY A 226
 None
 0.38A 1bcuH-1ym0A:
36.3		 1bcuH-1ym0A:
33.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ysr SENSOR-TYPE
HISTIDINE KINASE
PRRB

(Mycobacterium
tuberculosis) 		PF02518
(HATPase_c) 		5 ASP A 380
ALA A 436
VAL A 385
GLY A 358
GLY A 382
 None
 1.29A 1bcuH-1ysrA:
undetectable		 1bcuH-1ysrA:
21.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zlr COAGULATION FACTOR
XI

(Homo sapiens) 		PF00089
(Trypsin) 		6 ASP A 189
ALA A 190
SER A 195
TRP A 215
GLY A 216
GLY A 226
 368  A 901 (-2.8A)
368  A 901 (-3.7A)
368  A 901 (-1.4A)
None
368  A 901 (-3.6A)
368  A 901 (-3.5A)
 0.32A 1bcuH-1zlrA:
35.6		 1bcuH-1zlrA:
37.02
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.
2e1t ACYL TRANSFERASE

(Chrysanthemum x
morifolium) 		PF02458
(Transferase) 		5 ASP A  33
VAL A 321
GLY A 173
CYH A 171
GLY A 318
 None
MLC  A1001 ( 4.9A)
None
None
None
 1.37A 1bcuH-2e1tA:
undetectable		 1bcuH-2e1tA:
22.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2eek TRYPSIN-1

(Gadus morhua) 		PF00089
(Trypsin) 		6 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.
2ei8 COAGULATION FACTOR
X, HEAVY CHAIN

(Homo sapiens) 		PF00089
(Trypsin) 		7 ASP A 189
ALA A 190
SER A 195
VAL A 213
TRP A 215
GLY A 216
GLY A 226
 DT8  A 700 (-3.5A)
DT8  A 700 (-3.6A)
DT8  A 700 ( 3.9A)
DT8  A 700 ( 4.1A)
DT8  A 700 (-3.9A)
DT8  A 700 (-3.5A)
DT8  A 700 (-3.5A)
 0.31A 1bcuH-2ei8A:
36.2		 1bcuH-2ei8A:
40.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ei8 COAGULATION FACTOR
X, HEAVY CHAIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 ASP A 189
ALA A 190
VAL A 138
GLY A 226
GLY A 184
 DT8  A 700 (-3.5A)
DT8  A 700 (-3.6A)
None
DT8  A 700 (-3.5A)
None
 1.23A 1bcuH-2ei8A:
36.2		 1bcuH-2ei8A:
40.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2f91 HEPATOPANCREAS
TRYPSIN

(Astacus
leptodactylus) 		PF00089
(Trypsin) 		6 ASP A 189
SER A 195
VAL A 213
TRP A 215
GLY A 216
GLY A 227
 None
 0.39A 1bcuH-2f91A:
35.2		 1bcuH-2f91A:
36.98
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.
2hqb TRANSCRIPTIONAL
ACTIVATOR OF COMK
GENE

(Bacillus
halodurans) 		PF02608
(Bmp) 		5 ALA A 115
GLU A 147
VAL A 123
GLY A 141
GLY A 111
 None
 1.04A 1bcuH-2hqbA:
undetectable		 1bcuH-2hqbA:
21.27
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.
2ivp O-SIALOGLYCOPROTEIN
ENDOPEPTIDASE

(Pyrococcus
abyssi) 		PF00814
(Peptidase_M22) 		5 ASP A 159
GLU A 164
VAL A 175
GLY A 168
GLY A 171
 ATP  A1327 (-2.7A)
None
None
None
ATP  A1327 ( 4.4A)
 1.33A 1bcuH-2ivpA:
undetectable		 1bcuH-2ivpA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jet CHYMOTRYPSINOGEN B
CHAIN C

(Rattus
norvegicus) 		PF00089
(Trypsin) 		5 SER C 195
VAL C 213
TRP C 215
GLY C 216
GLY C 226
 None
 0.57A 1bcuH-2jetC:
8.3		 1bcuH-2jetC:
24.15
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.
2opu KHSRP PROTEIN

(Homo sapiens) 		PF00013
(KH_1) 		5 ALA A  79
GLU A  22
VAL A  53
GLY A  71
GLY A  50
 None
 1.09A 1bcuH-2opuA:
undetectable		 1bcuH-2opuA:
15.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oq5 TRANSMEMBRANE
PROTEASE, SERINE 11E

(Homo sapiens) 		PF00089
(Trypsin) 		7 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.
2oxt NUCLEOSIDE-2'-O-METH
YLTRANSFERASE

(Meaban virus) 		PF01728
(FtsJ) 		5 ASP A  80
ALA A 103
SER A 129
GLY A  84
GLY A  82
 SAM  A 300 ( 4.6A)
None
None
SAM  A 300 (-3.5A)
SAM  A 300 (-3.3A)
 1.25A 1bcuH-2oxtA:
undetectable		 1bcuH-2oxtA:
20.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2pks THROMBIN HEAVY CHAIN
FRAGMENT

(Homo sapiens) 		PF00089
(Trypsin) 		5 ALA C 230
GLU C 232
SER C 235
VAL C 255
TRP C 257
 G44  C 101 (-3.8A)
None
G44  C 101 (-3.5A)
None
G44  C 101 (-4.1A)
 0.85A 1bcuH-2pksC:
14.2		 1bcuH-2pksC:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2pks THROMBIN HEAVY CHAIN
FRAGMENT

(Homo sapiens) 		PF00089
(Trypsin) 		7 ASP C 229
ALA C 230
SER C 235
VAL C 255
TRP C 257
GLY C 258
GLY C 268
 G44  C 101 (-2.6A)
G44  C 101 (-3.8A)
G44  C 101 (-3.5A)
None
G44  C 101 (-4.1A)
G44  C 101 (-3.3A)
G44  C 101 (-3.0A)
 0.27A 1bcuH-2pksC:
14.2		 1bcuH-2pksC:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2psy KALLIKREIN-5

(Homo sapiens) 		PF00089
(Trypsin) 		6 ASP A 189
SER A 195
VAL A 213
TRP A 215
GLY A 216
GLY A 226
 None
 0.42A 1bcuH-2psyA:
17.9		 1bcuH-2psyA:
34.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qy0 COMPLEMENT C1R
SUBCOMPONENT

(Homo sapiens) 		PF00089
(Trypsin) 		7 ASP B 631
ALA B 632
SER B 637
VAL B 657
TRP B 659
GLY B 660
GLY B 668
 None
 0.37A 1bcuH-2qy0B:
34.0		 1bcuH-2qy0B:
38.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2r0l HEPATOCYTE GROWTH
FACTOR ACTIVATOR

(Homo sapiens) 		PF00089
(Trypsin) 		6 ASP A 189
ALA A 190
SER A 195
TRP A 215
GLY A 216
GLY A 226
 None
 0.39A 1bcuH-2r0lA:
35.3		 1bcuH-2r0lA:
35.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2r2w PLASMINOGEN
ACTIVATOR, UROKINASE

(Homo sapiens) 		PF00089
(Trypsin) 		5 ASP U 189
VAL U 213
TRP U 215
GLY U 216
GLY U 226
 4PG  U 300 (-2.8A)
None
None
4PG  U 300 (-3.3A)
4PG  U 300 (-3.2A)
 0.40A 1bcuH-2r2wU:
35.7		 1bcuH-2r2wU:
32.12
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.
2vp1 PERIPLASMIC
IRON-BINDING PROTEIN

(Synechocystis
sp. PCC 6803) 		PF13343
(SBP_bac_6) 		5 ASP A  87
ALA A  88
GLU A  95
VAL A 326
GLY A 330
 None
 0.97A 1bcuH-2vp1A:
undetectable		 1bcuH-2vp1A:
20.11
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.
2wa2 NON-STRUCTURAL
PROTEIN 5

(Modoc virus) 		PF01728
(FtsJ) 		5 ASP A  80
ALA A 103
SER A 129
GLY A  84
GLY A  82
 SAM  A1248 ( 4.9A)
None
None
SAM  A1248 (-3.4A)
SAM  A1248 (-3.3A)
 1.23A 1bcuH-2wa2A:
undetectable		 1bcuH-2wa2A:
19.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wpm COAGULATION FACTOR
IXA HEAVY CHAIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 ASP S 189
SER S 195
TRP S 215
GLY S 216
GLY S 226
 None
 0.45A 1bcuH-2wpmS:
35.7		 1bcuH-2wpmS:
37.74
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.
2xxl GRAM-POSITIVE
SPECIFIC SERINE
PROTEASE, ISOFORM B

(Drosophila
melanogaster) 		PF00089
(Trypsin)
PF12032
(CLIP) 		5 GLU A 269
SER A 318
VAL A 342
GLY A 345
GLY A 356
 NAG  A1385 (-4.0A)
None
None
None
None
 1.31A 1bcuH-2xxlA:
28.1		 1bcuH-2xxlA:
25.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zec TRYPTASE BETA 2

(Homo sapiens) 		PF00089
(Trypsin) 		6 ASP A 203
SER A 209
VAL A 227
TRP A 229
GLY A 230
GLY A 240
 11N  A   1 (-2.6A)
11N  A   1 (-3.3A)
None
None
11N  A   1 (-3.9A)
11N  A   1 (-3.6A)
 0.52A 1bcuH-2zecA:
33.7		 1bcuH-2zecA:
35.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3beu TRYPSIN

(Streptomyces
griseus) 		PF00089
(Trypsin) 		6 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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3f6u VITAMIN K-DEPENDENT
PROTEIN C HEAVY
CHAIN

(Homo sapiens) 		PF00089
(Trypsin) 		7 ASP H 189
ALA H 190
SER H 195
VAL H 213
TRP H 215
GLY H 216
GLY H 226
 0G6  H   1 (-2.8A)
0G6  H   1 (-3.4A)
0G6  H   1 (-1.8A)
None
0G6  H   1 (-4.1A)
0G6  H   1 (-3.8A)
0G6  H   1 ( 3.9A)
 0.37A 1bcuH-3f6uH:
36.4		 1bcuH-3f6uH:
40.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gov MASP-1

(Homo sapiens) 		PF00089
(Trypsin) 		7 ASP B 640
ALA B 641
SER B 646
VAL B 666
TRP B 668
GLY B 669
GLY B 679
 None
 0.38A 1bcuH-3govB:
37.2		 1bcuH-3govB:
36.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gym PROSTASIN

(Homo sapiens) 		PF00089
(Trypsin) 		7 ASP A 189
ALA A 190
SER A 195
VAL A 213
TRP A 215
GLY A 216
GLY A 226
 None
 0.39A 1bcuH-3gymA:
34.4		 1bcuH-3gymA:
36.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jav INOSITOL
1,4,5-TRISPHOSPHATE
RECEPTOR TYPE 1

(Rattus
norvegicus) 		PF00520
(Ion_trans)
PF01365
(RYDR_ITPR)
PF02815
(MIR)
PF08454
(RIH_assoc)
PF08709
(Ins145_P3_rec) 		5 ASP A 228
ALA A 296
SER A 301
GLY A 236
GLY A 294
 None
 1.32A 1bcuH-3javA:
undetectable		 1bcuH-3javA:
6.64
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.
3me8 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Aquifex
aeolicus) 		PF02630
(SCO1-SenC) 		5 ASP A  91
VAL A  67
TRP A  66
GLY A  62
GLY A  94
 None
 1.30A 1bcuH-3me8A:
undetectable		 1bcuH-3me8A:
20.62
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.
3olz GLUTAMATE RECEPTOR,
IONOTROPIC KAINATE 3

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		5 ASP A 134
ALA A 131
GLU A 159
SER A 127
GLY A 382
 None
 1.03A 1bcuH-3olzA:
undetectable		 1bcuH-3olzA:
20.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3r3g THROMBIN HEAVY CHAIN

(Homo sapiens) 		PF00089
(Trypsin) 		7 ASP B 189
ALA B 190
SER B 195
VAL B 213
TRP B 215
GLY B 216
GLY B 226
 None
 0.16A 1bcuH-3r3gB:
44.7		 1bcuH-3r3gB:
97.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rcn BETA-N-ACETYLHEXOSAM
INIDASE

(Paenarthrobacter
aurescens) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		5 ALA A 388
GLU A 364
VAL A 395
GLY A 392
GLY A 444
 None
 1.30A 1bcuH-3rcnA:
undetectable		 1bcuH-3rcnA:
17.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3s69 THROMBIN-LIKE ENZYME
DEFIBRASE

(Gloydius
saxatilis) 		PF00089
(Trypsin) 		5 ASP A 189
SER A 195
VAL A 209
GLY A 212
GLY A 223
 None
 0.32A 1bcuH-3s69A:
16.4		 1bcuH-3s69A:
31.44
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.
3syj ADHESION AND
PENETRATION PROTEIN
AUTOTRANSPORTER

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		5 GLU A 473
SER A 450
VAL A 451
GLY A 499
GLY A 502
 None
 1.31A 1bcuH-3syjA:
15.6		 1bcuH-3syjA:
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.
4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC

(Escherichia
coli) 		PF01520
(Amidase_3)
PF11741
(AMIN) 		5 ASP A 267
ALA A 266
GLU A 383
VAL A 215
GLY A 202
 ZN  A 500 (-2.3A)
None
None
None
None
 1.07A 1bcuH-4binA:
undetectable		 1bcuH-4binA:
19.22
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.
4bxw FACTOR XA

(Pseudonaja
textilis) 		PF00089
(Trypsin)
PF14670
(FXa_inhibition) 		6 ASP A 356
ALA A 357
SER A 362
VAL A 380
GLY A 383
GLY A 393
 0GJ  A1411 (-2.7A)
0GJ  A1411 (-3.4A)
0GJ  A1411 (-1.4A)
None
0GJ  A1411 (-3.7A)
0GJ  A1411 (-3.3A)
 0.37A 1bcuH-4bxwA:
34.2		 1bcuH-4bxwA:
25.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fxg MANNAN-BINDING
LECTIN SERINE
PROTEASE 2 B CHAIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 ASP H 627
VAL H 653
TRP H 655
GLY H 656
GLY H 667
 None
 0.37A 1bcuH-4fxgH:
36.1		 1bcuH-4fxgH:
35.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gso THROMBIN-LIKE ENZYME
BJUSSUSP-1

(Bothrops
jararacussu) 		PF00089
(Trypsin) 		5 ASP A 172
SER A 178
VAL A 192
GLY A 195
GLY A 206
 None
 0.44A 1bcuH-4gsoA:
undetectable		 1bcuH-4gsoA:
33.46
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.
4gt6 CELL SURFACE PROTEIN

(Faecalibacterium
prausnitzii) 		PF13306
(LRR_5) 		5 ASP A 258
ALA A 280
GLU A 283
SER A 304
VAL A 303
 None
 1.28A 1bcuH-4gt6A:
undetectable		 1bcuH-4gt6A:
21.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iw4 MANNAN-BINDING
LECTIN SERINE
PROTEASE 3

(Homo sapiens) 		PF00089
(Trypsin) 		6 ASP E 639
SER E 645
VAL E 665
TRP E 667
GLY E 668
GLY E 680
 None
 0.58A 1bcuH-4iw4E:
34.0		 1bcuH-4iw4E:
35.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4k8y KALLIKREIN-4

(Homo sapiens) 		PF00089
(Trypsin) 		5 ASP A 189
SER A 195
VAL A 213
GLY A 216
GLY A 226
 None
 0.44A 1bcuH-4k8yA:
17.4		 1bcuH-4k8yA:
35.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7g TRYPSIN-LIKE
PROTEASE

(Saccharopolyspora
erythraea) 		PF00089
(Trypsin) 		5 ASP A 173
SER A 179
TRP A 195
GLY A 196
GLY A 206
 None
 0.44A 1bcuH-4m7gA:
18.0		 1bcuH-4m7gA:
32.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r0i SUPPRESSOR OF
TUMORIGENICITY 14
PROTEIN

(Homo sapiens) 		PF00089
(Trypsin) 		6 ASP A 189
SER A 195
VAL A 213
TRP A 215
GLY A 216
GLY A 226
 3KM  A 900 (-2.9A)
3KM  A 900 (-3.6A)
None
None
3KM  A 900 (-3.4A)
3KM  A 900 (-3.2A)
 0.32A 1bcuH-4r0iA:
37.3		 1bcuH-4r0iA:
35.50
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.
4rz2 SITE-DETERMINING
PROTEIN

(Geobacillus
thermodenitrificans) 		PF10609
(ParA) 		5 ASP A  58
ALA A 103
SER A  74
GLY A  62
GLY A 105
 None
 1.18A 1bcuH-4rz2A:
undetectable		 1bcuH-4rz2A:
22.81
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.
4u83 ACYL-COA
DEHYDROGENASE

(Brucella
abortus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ALA A  68
GLU A 305
VAL A 297
GLY A 239
GLY A 243
 None
 1.26A 1bcuH-4u83A:
undetectable		 1bcuH-4u83A:
20.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wwy TRYPSIN-1

(Homo sapiens) 		PF00089
(Trypsin) 		6 ASP A 189
SER A 195
VAL A 213
TRP A 215
GLY A 216
GLY A 226
 None
 0.43A 1bcuH-4wwyA:
18.4		 1bcuH-4wwyA:
36.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ylq COAGULATION FACTOR
VII

(Homo sapiens) 		PF00089
(Trypsin) 		6 ASP H 189
SER H 195
VAL H 213
TRP H 215
GLY H 216
GLY H 226
 0Z7  H 501 (-2.3A)
0Z7  H 501 (-1.4A)
0Z7  H 501 ( 4.7A)
TMA  H 508 ( 3.9A)
0Z7  H 501 (-3.4A)
0Z7  H 501 (-3.0A)
 0.41A 1bcuH-4ylqH:
35.3		 1bcuH-4ylqH:
35.74
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.
4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E

(Rattus
norvegicus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 ASP A 428
ALA A 337
VAL A 341
GLY A  47
GLY A 144
 FAD  A3004 (-3.7A)
FAD  A3004 (-3.4A)
FAD  A3004 (-4.9A)
FES  A3002 (-4.4A)
None
 1.16A 1bcuH-4yswA:
undetectable		 1bcuH-4yswA:
10.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5brr TISSUE-TYPE
PLASMINOGEN
ACTIVATOR

(Homo sapiens) 		PF00089
(Trypsin) 		5 ASP E 189
ALA E 190
TRP E 215
GLY E 216
GLY E 226
 None
 0.35A 1bcuH-5brrE:
35.6		 1bcuH-5brrE:
32.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5f8z PLASMA KALLIKREIN
LIGHT CHAIN

(Homo sapiens) 		PF00089
(Trypsin) 		6 ASP A 189
ALA A 190
SER A 195
TRP A 215
GLY A 216
GLY A 226
 None
 0.51A 1bcuH-5f8zA:
35.6		 1bcuH-5f8zA:
39.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fah KALLIKREIN-7

(Homo sapiens) 		PF00089
(Trypsin) 		5 ALA A 190
SER A 195
VAL A 213
TRP A 215
GLY A 226
 5VT  A 302 (-3.8A)
5VT  A 302 (-4.0A)
None
None
5VT  A 302 ( 4.3A)
 0.88A 1bcuH-5fahA:
16.3		 1bcuH-5fahA:
33.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fah KALLIKREIN-7

(Homo sapiens) 		PF00089
(Trypsin) 		5 ALA A 190
VAL A 213
TRP A 215
GLY A 216
GLY A 226
 5VT  A 302 (-3.8A)
None
None
5VT  A 302 (-3.4A)
5VT  A 302 ( 4.3A)
 0.44A 1bcuH-5fahA:
16.3		 1bcuH-5fahA:
33.97
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.
5gvt PLASMA KALLIKREIN

(Mus musculus) 		no annotation 5 ASP A 189
ALA A 190
SER A 195
GLY A 216
GLY A 226
 None
 0.46A 1bcuH-5gvtA:
35.5		 1bcuH-5gvtA:
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.
5gvt PLASMA KALLIKREIN

(Mus musculus) 		no annotation 5 ASP A 189
ALA A 190
SER A 195
TRP A 215
GLY A 226
 None
 1.25A 1bcuH-5gvtA:
35.5		 1bcuH-5gvtA:
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.
5j44 SERINE PROTEASE SEPA
AUTOTRANSPORTER

(Shigella
flexneri) 		PF02395
(Peptidase_S6) 		5 ASP A 461
ALA A 460
SER A 437
GLY A 442
GLY A 463
 None
 1.25A 1bcuH-5j44A:
17.3		 1bcuH-5j44A:
13.44
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.
5ms3 KALLIKREIN-8

(Homo sapiens) 		no annotation 5 ASP A 189
SER A 195
TRP A 215
GLY A 216
GLY A 226
 None
 0.28A 1bcuH-5ms3A:
17.8		 1bcuH-5ms3A:
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.
5n0g PRECORRIN-8X
METHYLMUTASE

(Rhodobacter
capsulatus) 		no annotation 5 ASP A  76
ALA A  77
GLU A  82
CYH A  75
GLY A 135
 None
 1.25A 1bcuH-5n0gA:
undetectable		 1bcuH-5n0gA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5o32 COMPLEMENT FACTOR I

(Homo sapiens) 		PF00089
(Trypsin) 		6 ASP I 519
ALA I 520
VAL I 544
TRP I 546
GLY I 547
GLY I 557
 None
 0.94A 1bcuH-5o32I:
31.9		 1bcuH-5o32I:
33.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5to3 PROTHROMBIN,THROMBOM
ODULIN

(Homo sapiens) 		PF00089
(Trypsin)
PF09064
(Tme5_EGF_like) 		5 ASP B 214
ALA B 215
GLU B 217
GLY B 243
GLY B 253
 0G6  B 501 (-2.9A)
0G6  B 501 (-3.4A)
0G6  B 501 (-3.8A)
0G6  B 501 (-3.7A)
0G6  B 501 (-3.6A)
 0.86A 1bcuH-5to3B:
46.3		 1bcuH-5to3B:
88.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5to3 PROTHROMBIN,THROMBOM
ODULIN

(Homo sapiens) 		PF00089
(Trypsin)
PF09064
(Tme5_EGF_like) 		6 ASP B 214
ALA B 215
SER B 220
VAL B 240
GLY B 243
GLY B 253
 0G6  B 501 (-2.9A)
0G6  B 501 (-3.4A)
0G6  B 501 (-1.3A)
None
0G6  B 501 (-3.7A)
0G6  B 501 (-3.6A)
 0.31A 1bcuH-5to3B:
46.3		 1bcuH-5to3B:
88.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ubm COMPLEMENT C1S
SUBCOMPONENT

(Homo sapiens) 		no annotation 6 ASP A 626
SER A 632
VAL A 653
TRP A 655
GLY A 656
GLY A 663
 None
 0.59A 1bcuH-5ubmA:
32.9		 1bcuH-5ubmA:
35.53
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.
5uni NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA

(Thermus
thermophilus) 		PF02233
(PNTB) 		5 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.
5xrf SNAKE VENOM SERINE
PROTEASE DA-36

(Deinagkistrodon
acutus) 		no annotation 5 ASP A 200
SER A 206
VAL A 220
GLY A 223
GLY A 234
 None
 0.58A 1bcuH-5xrfA:
15.3		 1bcuH-5xrfA:
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.
5yh1 -

(-) 		no annotation 5 ASP A 366
ALA A 498
GLU A 504
VAL A 435
GLY A 367
 MN  A 805 (-3.1A)
MN  A 805 ( 4.6A)
None
None
None
 1.35A 1bcuH-5yh1A:
undetectable		 1bcuH-5yh1A:
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.
5zfh KALLIKREIN-7

(Mus musculus) 		no annotation 5 SER A 195
VAL A 213
TRP A 215
GLY A 216
GLY A 226
 None
 0.35A 1bcuH-5zfhA:
18.1		 1bcuH-5zfhA:
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.
6b74 COAGULATION FACTOR
XII

(Homo sapiens) 		no annotation 6 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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6brk DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Mus musculus) 		no annotation 5 ALA A 234
GLU A 266
SER A 334
VAL A 333
GLY A 204
 None
DGT  A 701 (-4.2A)
None
None
None
 1.27A 1bcuH-6brkA:
undetectable		 1bcuH-6brkA:
undetectable