SIMILAR PATTERNS OF AMINO ACIDS FOR 3HUO_B_PNNB301

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.
1alq CP254 BETA-LACTAMASE

(Staphylococcus
aureus) 		PF13354
(Beta-lactamase2) 		5 LYS A  73
ASN A 132
ASN A 170
LYS A 234
GLY A 236
 None
 0.53A 3huoB-1alqA:
28.2		 3huoB-1alqA:
30.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bsg BETA LACTAMASE

(Streptomyces
albus) 		PF13354
(Beta-lactamase2) 		7 CYH A  69
LYS A  73
ASN A 132
ASN A 170
LYS A 234
GLY A 236
GLY A 238
 None
 0.29A 3huoB-1bsgA:
43.0		 3huoB-1bsgA:
46.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bue PROTEIN
(IMIPENEM-HYDROLYSIN
G BETA-LACTAMASE)

(Enterobacter
cloacae) 		PF13354
(Beta-lactamase2) 		5 LYS A  73
ASN A 132
ASN A 170
LYS A 234
GLY A 236
 None
 0.61A 3huoB-1bueA:
41.0		 3huoB-1bueA:
48.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dy6 CARBAPENEM-HYDROLYSI
NG BETA-LACTAMASE
SME-1

(Serratia
marcescens) 		PF13354
(Beta-lactamase2) 		5 LYS A  73
ASN A 132
ASN A 170
LYS A 234
GLY A 236
 None
 0.57A 3huoB-1dy6A:
41.1		 3huoB-1dy6A:
47.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1g68 BETA-LACTAMASE PSE-4

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		5 LYS A  73
ASN A 132
ASN A 170
GLY A 236
GLY A 238
 SO4  A 400 ( 4.7A)
None
None
SO4  A 400 (-3.0A)
None
 0.33A 3huoB-1g68A:
39.6		 3huoB-1g68A:
39.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hzo BETA-LACTAMASE

(Proteus
vulgaris) 		PF13354
(Beta-lactamase2) 		8 LYS A  73
ASN A 132
ASN A 170
LYS A 234
GLY A 236
SER A 237
GLY A 238
ASP A 240
 None
None
None
MES  A1000 (-2.9A)
MES  A1000 (-3.1A)
MES  A1000 (-2.7A)
None
None
 0.72A 3huoB-1hzoA:
46.5		 3huoB-1hzoA:
65.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1i2w BETA-LACTAMASE

(Bacillus
licheniformis) 		PF13354
(Beta-lactamase2) 		6 LYS A  73
ASN A 104
ASN A 132
LYS A 234
GLY A 236
GLY A 238
 CFX  A1300 (-2.6A)
CFX  A1300 (-3.9A)
CFX  A1300 (-3.0A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.3A)
CFX  A1300 ( 4.1A)
 0.39A 3huoB-1i2wA:
41.4		 3huoB-1i2wA:
42.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1n4o L2 BETA-LACTAMASE

(Stenotrophomonas
maltophilia) 		PF13354
(Beta-lactamase2) 		7 CYH A  69
LYS A  73
ASN A 132
ASN A 170
LYS A 234
GLY A 236
SER A 237
 None
SO4  A1002 ( 4.9A)
None
None
SO4  A1002 (-3.6A)
SO4  A1002 (-3.2A)
SO4  A1002 (-2.7A)
 0.34A 3huoB-1n4oA:
40.7		 3huoB-1n4oA:
46.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1n4o L2 BETA-LACTAMASE

(Stenotrophomonas
maltophilia) 		PF13354
(Beta-lactamase2) 		5 LYS A  73
ASN A 132
LYS A 234
GLY A 236
ARG A 244
 SO4  A1002 ( 4.9A)
None
SO4  A1002 (-3.6A)
SO4  A1002 (-3.2A)
None
 0.80A 3huoB-1n4oA:
40.7		 3huoB-1n4oA:
46.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1n9b BETA-LACTAMASE SHV-2

(Klebsiella
pneumoniae) 		PF13354
(Beta-lactamase2) 		5 LYS A  73
ASN A 132
ASN A 170
LYS A 234
GLY A 236
 None
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.1A)
 0.32A 3huoB-1n9bA:
35.9		 3huoB-1n9bA:
39.93
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.
1ri6 PUTATIVE ISOMERASE
YBHE

(Escherichia
coli) 		PF10282
(Lactonase) 		5 CYH A 131
GLY A 130
GLY A 106
SER A 102
GLY A 101
 None
 0.80A 3huoB-1ri6A:
undetectable		 3huoB-1ri6A:
23.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wr1 UBIQUITIN-LIKE
PROTEIN DSK2

(Saccharomyces
cerevisiae) 		PF00627
(UBA) 		5 GLY B 358
GLY B 359
SER B 360
GLY B 363
ASP B 366
 None
 0.87A 3huoB-1wr1B:
undetectable		 3huoB-1wr1B:
15.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Streptococcus
pneumoniae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		5 LYS A  59
ASN A 121
LYS A 239
GLY A 241
ASP A 244
 None
None
SO4  A 464 (-3.5A)
SO4  A 464 ( 3.8A)
None
 0.89A 3huoB-1xp4A:
20.8		 3huoB-1xp4A:
22.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zg4 BETA-LACTAMASE TEM

(Escherichia
coli) 		PF13354
(Beta-lactamase2) 		6 LYS A  73
ASN A 132
ASN A 170
LYS A 234
GLY A 236
GLY A 238
 None
 0.29A 3huoB-1zg4A:
38.4		 3huoB-1zg4A:
38.11
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.
2a4a DEOXYRIBOSE-PHOSPHAT
E ALDOLASE

(Plasmodium
yoelii) 		PF01791
(DeoC) 		5 GLY A 175
GLY A 213
SER A 212
GLY A 245
ASP A  18
 None
 1.02A 3huoB-2a4aA:
undetectable		 3huoB-2a4aA:
21.74
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.
2bwb UBIQUITIN-LIKE
PROTEIN DSK2

(Saccharomyces
cerevisiae) 		PF00627
(UBA) 		5 GLY A 358
GLY A 359
SER A 360
GLY A 363
ASP A 366
 None
 0.95A 3huoB-2bwbA:
undetectable		 3huoB-2bwbA:
19.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2cc1 BETA-LACTAMASE

(Mycolicibacterium
fortuitum) 		PF13354
(Beta-lactamase2) 		6 ASN A 105
LYS A 234
GLY A 236
SER A 237
GLY A 238
ASP A 240
 None
 0.86A 3huoB-2cc1A:
40.8		 3huoB-2cc1A:
44.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2cc1 BETA-LACTAMASE

(Mycolicibacterium
fortuitum) 		PF13354
(Beta-lactamase2) 		6 CYH A  69
ASN A 105
ASN A 132
ASN A 170
GLY A 238
ASP A 240
 None
 1.40A 3huoB-2cc1A:
40.8		 3huoB-2cc1A:
44.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2cc1 BETA-LACTAMASE

(Mycolicibacterium
fortuitum) 		PF13354
(Beta-lactamase2) 		6 CYH A  69
ASN A 105
ASN A 170
SER A 237
GLY A 238
ASP A 240
 None
 1.21A 3huoB-2cc1A:
40.8		 3huoB-2cc1A:
44.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2cc1 BETA-LACTAMASE

(Mycolicibacterium
fortuitum) 		PF13354
(Beta-lactamase2) 		7 CYH A  69
ASN A 170
GLY A 236
SER A 237
GLY A 238
ASP A 240
ARG A 278
 None
 1.09A 3huoB-2cc1A:
40.8		 3huoB-2cc1A:
44.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2cc1 BETA-LACTAMASE

(Mycolicibacterium
fortuitum) 		PF13354
(Beta-lactamase2) 		7 CYH A  69
ASN A 170
LYS A 234
GLY A 236
SER A 237
GLY A 238
ASP A 240
 None
 0.55A 3huoB-2cc1A:
40.8		 3huoB-2cc1A:
44.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2cc1 BETA-LACTAMASE

(Mycolicibacterium
fortuitum) 		PF13354
(Beta-lactamase2) 		8 CYH A  69
LYS A  73
ASN A 132
ASN A 170
GLY A 236
GLY A 238
ASP A 240
ARG A 278
 None
 0.89A 3huoB-2cc1A:
40.8		 3huoB-2cc1A:
44.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2cc1 BETA-LACTAMASE

(Mycolicibacterium
fortuitum) 		PF13354
(Beta-lactamase2) 		8 CYH A  69
LYS A  73
ASN A 132
ASN A 170
LYS A 234
GLY A 236
GLY A 238
ASP A 240
 None
 0.33A 3huoB-2cc1A:
40.8		 3huoB-2cc1A:
44.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN

(Staphylococcus
aureus) 		PF00905
(Transpeptidase) 		5 LYS A 394
ASN A 441
LYS A 528
GLY A 530
GLY A 532
 GOL  A 605 ( 3.9A)
GOL  A 605 (-2.8A)
GOL  A 604 (-2.9A)
GOL  A 605 ( 3.2A)
None
 0.44A 3huoB-2iwbA:
18.9		 3huoB-2iwbA:
21.74
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.
2qy1 PECTATE LYASE II

(Xanthomonas
campestris) 		PF00544
(Pec_lyase_C) 		5 LYS A 338
ASN A 271
GLY A 295
SER A 296
GLY A 297
 None
 1.05A 3huoB-2qy1A:
undetectable		 3huoB-2qy1A:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v8p 4-DIPHOSPHOCYTIDYL-2
-C-METHYL-D-ERYTHRIT
OL KINASE

(Aquifex
aeolicus) 		PF00288
(GHMP_kinases_N) 		5 GLY A 237
ASN A 206
GLY A 239
GLY A 209
ASP A 210
 None
 1.02A 3huoB-2v8pA:
undetectable		 3huoB-2v8pA:
22.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wyx BETA-LACTAMSE TOHO-1

(Escherichia
coli) 		PF13354
(Beta-lactamase2) 		7 CYH A  69
GLY A 236
ASN A 104
ASN A 170
LYS A 234
GLY A 238
ASP A 240
 None
 1.40A 3huoB-2wyxA:
46.1		 3huoB-2wyxA:
83.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wyx BETA-LACTAMSE TOHO-1

(Escherichia
coli) 		PF13354
(Beta-lactamase2) 		10 CYH A  69
LYS A  73
ASN A 104
ASN A 132
ASN A 170
LYS A 234
GLY A 236
SER A 237
GLY A 238
ASP A 240
 None
 0.43A 3huoB-2wyxA:
46.1		 3huoB-2wyxA:
83.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xfe CARBOHYDRATE BINDING
MODULE

(Escherichia
coli) 		PF16841
(CBM60) 		5 GLY A  91
ASN A  81
GLY A  92
SER A  93
GLY A  94
 None
 0.77A 3huoB-2xfeA:
undetectable		 3huoB-2xfeA:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xfs ORF12

(Streptomyces
clavuligerus) 		PF13354
(Beta-lactamase2) 		5 LYS A 176
ASN A 236
LYS A 375
GLY A 377
SER A 378
 None
None
J01  A 600 ( 4.4A)
J01  A 600 ( 3.8A)
J01  A 600 (-3.4A)
 0.53A 3huoB-2xfsA:
22.7		 3huoB-2xfsA:
22.73
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.
2zc7 BETA-LACTAMASE ACT-1

(Klebsiella
pneumoniae) 		PF00144
(Beta-lactamase) 		5 LYS A  67
ASN A 152
LYS A 315
GLY A 317
SER A 318
 None
 0.72A 3huoB-2zc7A:
14.7		 3huoB-2zc7A:
24.00
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.
3a3i PENICILLIN-BINDING
PROTEIN 4

(Haemophilus
influenzae) 		PF02113
(Peptidase_S13) 		5 LYS A  72
ASN A 312
LYS A 420
GLY A 422
SER A 423
 AIX  A 501 ( 4.0A)
AIX  A 501 (-3.3A)
AIX  A 501 ( 3.8A)
AIX  A 501 (-3.4A)
AIX  A 501 (-2.5A)
 0.92A 3huoB-3a3iA:
20.8		 3huoB-3a3iA:
21.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bfg CLASS A
BETA-LACTAMASE SED1

(Citrobacter
sedlakii) 		PF13354
(Beta-lactamase2) 		7 LYS A  73
ASN A 104
ASN A 132
ASN A 170
LYS A 234
GLY A 236
ASP A 240
 MER  A 301 ( 3.8A)
MER  A 301 ( 4.1A)
MER  A 301 (-3.2A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.0A)
None
 0.44A 3huoB-3bfgA:
46.8		 3huoB-3bfgA:
74.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3byd BETA-LACTAMASE OXY-1

(Klebsiella
oxytoca) 		PF13354
(Beta-lactamase2) 		8 CYH A  72
LYS A  76
ASN A 135
ASN A 173
LYS A 237
GLY A 239
GLY A 241
ASP A 242
 None
SO4  A 301 ( 4.9A)
None
None
SO4  A 301 (-3.1A)
SO4  A 301 (-3.3A)
None
None
 0.25A 3huoB-3bydA:
47.1		 3huoB-3bydA:
74.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cjm PUTATIVE
BETA-LACTAMASE

(Enterococcus
faecalis) 		PF13354
(Beta-lactamase2) 		6 LYS A 111
ASN A 171
LYS A 257
GLY A 259
SER A 260
ASP A 262
 NO3  A   1 (-3.5A)
NO3  A   1 ( 4.7A)
None
None
EDO  A   7 ( 4.0A)
None
 0.75A 3huoB-3cjmA:
27.5		 3huoB-3cjmA:
23.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dwk PENICILLIN-BINDING
PROTEIN 2

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		5 LYS A 401
ASN A 456
LYS A 583
GLY A 585
GLY A 587
 SO4  A  26 ( 4.8A)
None
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.3A)
None
 0.56A 3huoB-3dwkA:
17.9		 3huoB-3dwkA:
19.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dwz BETA-LACTAMASE

(Mycobacterium
tuberculosis) 		PF13354
(Beta-lactamase2) 		7 CYH A  83
LYS A  87
ASN A 186
LYS A 250
GLY A 252
GLY A 254
ASP A 255
 DWZ  A 400 (-4.9A)
DWZ  A 400 (-2.6A)
DWZ  A 400 ( 4.0A)
DWZ  A 400 ( 3.8A)
DWZ  A 400 (-3.3A)
None
None
 0.49A 3huoB-3dwzA:
41.3		 3huoB-3dwzA:
44.98
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.
3fdg DIPEPTIDASE AC.
METALLO PEPTIDASE.
MEROPS FAMILY M19

(Rhodobacter
sphaeroides) 		PF01244
(Peptidase_M19) 		5 GLY A  10
ASN A  12
GLY A 302
SER A 303
ASP A 306
 None
 1.07A 3huoB-3fdgA:
undetectable		 3huoB-3fdgA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus dulcis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 CYH A  39
GLY A  38
GLY A  34
GLY A 104
ARG A  56
 None
None
None
None
FAD  A 522 (-4.2A)
 0.92A 3huoB-3gdnA:
undetectable		 3huoB-3gdnA:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gl1 HEAT SHOCK PROTEIN
SSB1

(Saccharomyces
cerevisiae) 		PF00012
(HSP70) 		5 GLY A 341
GLY A 342
GLY A 233
ASP A 235
ARG A 275
 None
 0.84A 3huoB-3gl1A:
undetectable		 3huoB-3gl1A:
23.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hum PENICILLIN-BINDING
PROTEIN 4

(Staphylococcus
aureus) 		PF00768
(Peptidase_S11)
PF09211
(DUF1958) 		5 LYS A  78
ASN A 141
LYS A 259
GLY A 261
ASP A 264
 None
None
CEW  A 501 ( 4.4A)
CEW  A 501 (-3.1A)
None
 0.95A 3huoB-3humA:
22.3		 3huoB-3humA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hum PENICILLIN-BINDING
PROTEIN 4

(Staphylococcus
aureus) 		PF00768
(Peptidase_S11)
PF09211
(DUF1958) 		5 LYS A  78
LYS A 259
GLY A 261
SER A 262
ASP A 264
 None
CEW  A 501 ( 4.4A)
CEW  A 501 (-3.1A)
CEW  A 501 (-2.9A)
None
 0.83A 3huoB-3humA:
22.3		 3huoB-3humA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ics COENZYME A-DISULFIDE
REDUCTASE

(Bacillus
anthracis) 		PF00581
(Rhodanese)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  10
ASN A 306
GLY A   9
SER A 113
ASP A 284
 None
COA  A 556 (-3.3A)
FAD  A 555 (-3.1A)
FAD  A 555 (-2.9A)
FAD  A 555 (-2.9A)
 1.06A 3huoB-3icsA:
undetectable		 3huoB-3icsA:
19.29
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.
3ldo 78 KDA
GLUCOSE-REGULATED
PROTEIN

(Homo sapiens) 		PF00012
(HSP70) 		5 GLY A 363
GLY A 364
GLY A 255
ASP A 257
ARG A 297
 ANP  A 408 (-3.2A)
ANP  A 408 (-3.1A)
ANP  A 408 (-3.4A)
None
None
 0.98A 3huoB-3ldoA:
undetectable		 3huoB-3ldoA:
22.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lez BETA-LACTAMASE

(Oceanobacillus
iheyensis) 		PF13354
(Beta-lactamase2) 		6 LYS A  88
ASN A 145
ASN A 183
LYS A 247
GLY A 249
GLY A 251
 None
None
None
EPE  A 305 (-3.1A)
EPE  A 305 (-3.4A)
None
 0.37A 3huoB-3lezA:
41.6		 3huoB-3lezA:
43.23
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.
3lyc PUTATIVE PECTINASE

(Parabacteroides
distasonis) 		PF10988
(DUF2807) 		5 GLY A 201
GLY A 221
SER A 222
GLY A 223
ASP A 224
 None
 0.95A 3huoB-3lycA:
undetectable		 3huoB-3lycA:
23.63
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.
3ndo DEOXYRIBOSE-PHOSPHAT
E ALDOLASE

(Mycolicibacterium
smegmatis) 		PF01791
(DeoC) 		5 GLY A 164
GLY A 193
SER A 192
GLY A 213
ASP A  14
 UNL  A 301 ( 4.1A)
UNL  A 301 ( 4.0A)
UNL  A 301 ( 3.7A)
UNL  A 301 ( 4.9A)
None
 1.02A 3huoB-3ndoA:
undetectable		 3huoB-3ndoA:
25.44
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.
3ng3 DEOXYRIBOSE-PHOSPHAT
E ALDOLASE

(Mycobacterium
avium) 		PF01791
(DeoC) 		5 GLY A 162
GLY A 191
SER A 190
GLY A 211
ASP A  13
 UNL  A 301 ( 4.0A)
UNL  A 301 ( 4.2A)
UNL  A 301 ( 3.6A)
UNL  A 301 ( 4.6A)
None
 1.02A 3huoB-3ng3A:
undetectable		 3huoB-3ng3A:
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.
3q7z BETA-LACTAMASE
REGULATORY PROTEIN
BLAR1

(Staphylococcus
aureus) 		PF00905
(Transpeptidase) 		5 LYS A 392
ASN A 439
LYS A 526
GLY A 528
GLY A 530
 BOU  A 584 ( 3.9A)
BOU  A 584 (-3.5A)
BOU  A 584 (-3.3A)
BOU  A 584 (-3.7A)
BOU  A 584 ( 3.9A)
 0.43A 3huoB-3q7zA:
18.1		 3huoB-3q7zA:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3qhy BETA-LACTAMASE

(Bacillus
anthracis) 		PF13354
(Beta-lactamase2) 		6 LYS A  73
ASN A 132
ASN A 170
LYS A 234
GLY A 236
GLY A 238
 None
 0.39A 3huoB-3qhyA:
42.2		 3huoB-3qhyA:
43.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3red HYDROXYNITRILE LYASE

(Prunus mume) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 CYH A  39
GLY A  38
GLY A  34
GLY A 104
ARG A  56
 None
None
None
None
FAD  A 773 (-4.2A)
 0.89A 3huoB-3redA:
undetectable		 3huoB-3redA:
19.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rju BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE

(Yersinia pestis) 		PF00144
(Beta-lactamase) 		5 LYS A  62
ASN A 158
LYS A 299
GLY A 301
GLY A 303
 CIT  A 391 ( 4.4A)
CIT  A 391 ( 4.7A)
CIT  A 391 ( 4.4A)
CIT  A 391 (-3.3A)
None
 0.48A 3huoB-3rjuA:
15.2		 3huoB-3rjuA:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s47 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Clostridium
beijerinckii) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A  38
ASN A 322
GLY A  94
SER A  93
GLY A 288
 None
 1.06A 3huoB-3s47A:
undetectable		 3huoB-3s47A:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ss6 ACETYL-COA
ACETYLTRANSFERASE

(Bacillus
anthracis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 CYH A 351
GLY A 114
SER A 252
GLY A 251
ASP A 250
 None
 1.02A 3huoB-3ss6A:
undetectable		 3huoB-3ss6A:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t6c PUTATIVE MAND FAMILY
DEHYDRATASE

(Pantoea
ananatis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A  37
ASN A 338
GLY A  93
SER A  92
GLY A 304
 None
 1.06A 3huoB-3t6cA:
undetectable		 3huoB-3t6cA:
21.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3w4q BETA-LACTAMASE

(Burkholderia
multivorans) 		PF13354
(Beta-lactamase2) 		8 CYH A  69
LYS A  73
ASN A 132
ASN A 170
LYS A 234
GLY A 236
GLY A 238
ASP A 240
 None
 0.33A 3huoB-3w4qA:
44.4		 3huoB-3w4qA:
57.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zdj ENCA BETA-LACTAMASE

(synthetic
construct) 		PF13354
(Beta-lactamase2) 		6 LYS A  73
ASN A 132
ASN A 170
LYS A 234
GLY A 236
GLY A 238
 None
None
None
SO4  A1291 (-3.3A)
SO4  A1291 (-3.3A)
None
 0.37A 3huoB-3zdjA:
39.2		 3huoB-3zdjA:
43.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zg8 PENICILLIN-BINDING
PROTEIN 4

(Listeria
monocytogenes) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		5 LYS B 397
ASN B 451
LYS B 575
GLY B 577
SER B 578
 AIX  B 800 ( 3.1A)
AIX  B 800 (-2.7A)
AIX  B 800 ( 4.0A)
AIX  B 800 ( 3.7A)
AIX  B 800 (-3.0A)
 0.60A 3huoB-3zg8B:
17.1		 3huoB-3zg8B:
19.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zny CTX-M-12A ENZYME

(Klebsiella
pneumoniae) 		PF13354
(Beta-lactamase2) 		9 CYH A  69
LYS A  73
ASN A 132
ASN A 170
LYS A 234
GLY A 236
SER A 237
GLY A 238
ARG A 276
 None
 0.46A 3huoB-3znyA:
47.8		 3huoB-3znyA:
81.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c6y BETA-LACTAMASE

(synthetic
construct) 		PF13354
(Beta-lactamase2) 		7 CYH A  69
LYS A  73
ASN A 132
ASN A 170
LYS A 234
GLY A 236
GLY A 238
 None
PEG  A 307 ( 3.6A)
PEG  A 307 (-3.1A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-2.7A)
None
 0.28A 3huoB-4c6yA:
43.5		 3huoB-4c6yA:
58.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c75 BETA-LACTAMASE

(synthetic
construct) 		PF13354
(Beta-lactamase2) 		7 CYH A  69
LYS A  73
ASN A 132
ASN A 170
LYS A 234
GLY A 236
GLY A 238
 None
SO4  A 291 ( 4.6A)
None
None
SO4  A 291 (-3.4A)
NA  A 294 ( 3.2A)
None
 0.23A 3huoB-4c75A:
42.7		 3huoB-4c75A:
56.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1

(Serratia
fonticola) 		PF13354
(Beta-lactamase2) 		5 LYS A  73
ASN A 132
ASN A 170
LYS A 234
GLY A 236
 MER  A 401 ( 4.4A)
MER  A 401 (-3.2A)
MER  A 401 (-2.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.6A)
 0.46A 3huoB-4ev4A:
42.2		 3huoB-4ev4A:
48.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gis ENOLASE

(Vibrio harveyi) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A  36
ASN A 320
GLY A  92
SER A  91
GLY A 286
 None
 1.05A 3huoB-4gisA:
undetectable		 3huoB-4gisA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hnl MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Enterococcus
gallinarum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A  36
ASN A 320
GLY A  92
SER A  91
GLY A 286
 None
 1.04A 3huoB-4hnlA:
undetectable		 3huoB-4hnlA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hqn SPOROZOITE SURFACE
PROTEIN 2

(Plasmodium
vivax) 		PF00090
(TSP_1)
PF00092
(VWA) 		5 GLY A 125
ASN A 162
GLY A  53
SER A  52
GLY A  51
 None
CL  A 304 (-4.8A)
None
MN  A 301 (-2.2A)
None
 1.05A 3huoB-4hqnA:
undetectable		 3huoB-4hqnA:
20.46
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.
4igg CATENIN ALPHA-1

(Homo sapiens) 		PF01044
(Vinculin) 		5 GLY A 805
ASN A 284
GLY A 804
GLY A 272
ASP A 200
 None
 1.03A 3huoB-4iggA:
undetectable		 3huoB-4iggA:
17.68
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.
4ihe THNT PROTEIN

(Streptomyces
cattleya) 		PF03576
(Peptidase_S58) 		5 GLY A 386
GLY A 147
GLY A  52
ASP A  51
ARG A 155
 None
 0.96A 3huoB-4iheA:
undetectable		 3huoB-4iheA:
23.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jb6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Pseudomonas
aeruginosa) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 190
GLY A 237
SER A 236
GLY A 235
ASP A 234
 None
 0.95A 3huoB-4jb6A:
undetectable		 3huoB-4jb6A:
23.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ovd PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Atopobium
parvulum) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 LYS A 308
ASN A 363
LYS A 500
GLY A 502
GLY A 504
 None
None
CA  A 601 ( 4.1A)
CA  A 601 ( 4.2A)
None
 0.87A 3huoB-4ovdA:
17.4		 3huoB-4ovdA:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ra7 PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Atopobium
parvulum) 		PF00905
(Transpeptidase) 		5 LYS A 685
ASN A 739
LYS A 890
GLY A 892
ASP A 895
 NXU  A1001 ( 4.2A)
NXU  A1001 (-3.5A)
NXU  A1001 (-3.5A)
NXU  A1001 (-3.4A)
NXU  A1001 (-3.1A)
 0.62A 3huoB-4ra7A:
16.7		 3huoB-4ra7A:
22.69
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.
4wzz PUTATIVE SUGAR ABC
TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Lachnoclostridium
phytofermentans) 		PF13407
(Peripla_BP_4) 		5 GLY A 172
GLY A 173
SER A 174
GLY A 175
ASP A 176
 None
 0.83A 3huoB-4wzzA:
undetectable		 3huoB-4wzzA:
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.
4xbk DEOXYRIBOSE-PHOSPHAT
E ALDOLASE

(Lactobacillus
brevis) 		PF01791
(DeoC) 		5 GLY A 162
GLY A 190
SER A 189
GLY A 210
ASP A  13
 None
 1.02A 3huoB-4xbkA:
undetectable		 3huoB-4xbkA:
23.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yfm BETA-LACTAMASE

(Mycobacteroides
abscessus) 		PF13354
(Beta-lactamase2) 		7 CYH A  70
LYS A  74
ASN A 133
ASN A 171
LYS A 233
GLY A 235
GLY A 237
 None
ACT  A 301 ( 4.8A)
None
None
ACT  A 301 (-3.4A)
ACT  A 301 (-3.3A)
None
 0.34A 3huoB-4yfmA:
42.2		 3huoB-4yfmA:
43.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aqa OFF7_DB04V3

(synthetic
construct) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13354
(Beta-lactamase2) 		6 LYS A 203
ASN A 262
ASN A 300
LYS A 364
GLY A 366
GLY A 368
 None
 0.36A 3huoB-5aqaA:
37.7		 3huoB-5aqaA:
26.79
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.
5az4 FLAGELLAR HOOK
SUBUNIT PROTEIN

(Campylobacter
jejuni) 		PF07196
(Flagellin_IN)
PF07559
(FlaE) 		5 ASN A 393
ASN A 391
ASN A 395
GLY A 399
GLY A 396
 None
 1.01A 3huoB-5az4A:
undetectable		 3huoB-5az4A:
16.60
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.
5az4 FLAGELLAR HOOK
SUBUNIT PROTEIN

(Campylobacter
jejuni) 		PF07196
(Flagellin_IN)
PF07559
(FlaE) 		5 GLY A 399
ASN A 393
ASN A 391
ASN A 395
GLY A 396
 None
 1.06A 3huoB-5az4A:
undetectable		 3huoB-5az4A:
16.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e2e BETA-LACTAMASE

(Yersinia
enterocolitica) 		PF13354
(Beta-lactamase2) 		9 CYH A  46
LYS A  50
ASN A 109
ASN A 147
LYS A 211
GLY A 213
SER A 214
GLY A 215
ASP A 216
 None
 0.36A 3huoB-5e2eA:
44.5		 3huoB-5e2eA:
58.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e2h BETA-LACTAMASE

(Mycolicibacterium
smegmatis) 		PF00144
(Beta-lactamase) 		5 LYS A  61
ASN A 146
LYS A 307
GLY A 309
ASP A 312
 None
CL  A 402 ( 4.8A)
None
None
None
 0.59A 3huoB-5e2hA:
15.8		 3huoB-5e2hA:
23.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e43 BETA-LACTAMASE

(Streptosporangium
roseum) 		PF13354
(Beta-lactamase2) 		5 LYS A  73
ASN A 133
ASN A 171
LYS A 235
GLY A 237
 None
None
None
ACT  A 311 (-3.3A)
ACT  A 311 (-3.2A)
 0.24A 3huoB-5e43A:
42.5		 3huoB-5e43A:
41.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eb5 HNL ISOENZYME 5

(Prunus dulcis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 CYH A  39
GLY A  38
GLY A  34
GLY A 104
ARG A  56
 None
None
None
None
FAD  A 601 (-4.3A)
 0.90A 3huoB-5eb5A:
undetectable		 3huoB-5eb5A:
19.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eoe BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		6 LYS A  65
ASN A 125
ASN A 163
LYS A 227
GLY A 229
SER A 230
 CIT  A 303 (-3.6A)
CIT  A 303 (-3.2A)
None
CIT  A 303 (-3.5A)
CIT  A 303 (-3.5A)
CIT  A 303 (-2.5A)
 0.34A 3huoB-5eoeA:
40.7		 3huoB-5eoeA:
41.42
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.
5fpn HEAT SHOCK-RELATED
70 KDA PROTEIN 2

(Homo sapiens) 		PF00012
(HSP70) 		5 GLY A 340
GLY A 341
GLY A 232
ASP A 234
ARG A 274
 None
KYD  A1386 (-3.7A)
None
None
None
 0.95A 3huoB-5fpnA:
undetectable		 3huoB-5fpnA:
18.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5gl9 BETA-LACTAMASE

(Burkholderia
thailandensis) 		PF13354
(Beta-lactamase2) 		8 CYH A  69
LYS A  73
ASN A 132
ASN A 170
LYS A 234
GLY A 236
GLY A 238
ASP A 240
 None
 0.26A 3huoB-5gl9A:
44.8		 3huoB-5gl9A:
57.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hw3 BETA-LACTAMASE

(Burkholderia
vietnamiensis) 		PF13354
(Beta-lactamase2) 		5 CYH A  69
LYS A  73
ASN A 133
ASN A 171
GLY A 235
 None
None
None
ACT  A 310 (-4.0A)
SO4  A 301 (-3.4A)
 0.52A 3huoB-5hw3A:
39.7		 3huoB-5hw3A:
37.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hx9 BETA-LACTAMASE

(Burkholderia
vietnamiensis) 		PF13354
(Beta-lactamase2) 		6 CYH A  69
GLY A  70
ASN A 170
LYS A 234
GLY A 236
GLY A 238
 None
EDO  A 303 (-3.6A)
None
EDO  A 303 (-2.6A)
None
None
 0.35A 3huoB-5hx9A:
41.9		 3huoB-5hx9A:
46.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ihv BETA-LACTAMASE

(Burkholderia
ambifaria) 		PF13354
(Beta-lactamase2) 		6 CYH A  46
GLY A  47
ASN A 147
LYS A 211
GLY A 213
GLY A 215
 None
EDO  A 302 (-3.6A)
None
EDO  A 302 (-2.8A)
None
None
 0.36A 3huoB-5ihvA:
42.3		 3huoB-5ihvA:
49.43
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.
5ll7 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 5 LYS A  73
ASN A 132
ASN A 170
LYS A 234
GLY A 236
 6YV  A 301 ( 3.8A)
6YV  A 301 (-3.7A)
6YV  A 301 (-2.9A)
6YV  A 301 (-3.6A)
6YV  A 301 ( 4.0A)
 0.58A 3huoB-5ll7A:
42.9		 3huoB-5ll7A:
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.
5n94 CG9323, ISOFORM A

(Drosophila
melanogaster) 		no annotation 5 CYH A 180
GLY A 179
GLY A 332
SER A 177
GLY A 176
 None
 1.02A 3huoB-5n94A:
undetectable		 3huoB-5n94A:
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.
5tfq BETA-LACTAMASE

(Bacteroides
cellulosilyticus) 		PF13354
(Beta-lactamase2) 		5 LYS A  51
ASN A 114
LYS A 215
GLY A 217
SER A 218
 None
None
PO4  A 301 (-3.2A)
PO4  A 301 (-3.3A)
PO4  A 301 (-2.7A)
 0.36A 3huoB-5tfqA:
33.0		 3huoB-5tfqA:
26.33
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.
5tfq BETA-LACTAMASE

(Bacteroides
cellulosilyticus) 		PF13354
(Beta-lactamase2) 		5 LYS A  51
LYS A 215
GLY A 217
SER A 218
ASP A 220
 None
PO4  A 301 (-3.2A)
PO4  A 301 (-3.3A)
PO4  A 301 (-2.7A)
None
 0.89A 3huoB-5tfqA:
33.0		 3huoB-5tfqA:
26.33
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.
5tr1 CHLORIDE CHANNEL
PROTEIN
MONOCLONAL ANTIBODY,
FAB FRAGMENT, LIGHT
CHAIN

(Bos taurus;
Mus musculus) 		PF00654
(Voltage_CLC)
PF07686
(V-set) 		5 GLY L  30
ASN A 386
GLY L  68
SER L  67
GLY L  66
 None
 0.82A 3huoB-5tr1L:
undetectable		 3huoB-5tr1L:
16.73
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.
5tte E3 UBIQUITIN-PROTEIN
LIGASE ARIH1

(Homo sapiens) 		PF01485
(IBR) 		5 CYH B 357
GLY B 356
ASN B 423
ASN B 358
GLY B 355
 None
 1.00A 3huoB-5tteB:
undetectable		 3huoB-5tteB:
16.99
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.
5udh E3 UBIQUITIN-PROTEIN
LIGASE ARIH1

(Homo sapiens) 		PF01485
(IBR) 		5 CYH A 357
GLY A 356
ASN A 423
ASN A 358
GLY A 355
 None
 1.00A 3huoB-5udhA:
undetectable		 3huoB-5udhA:
19.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vpq BETA-LACTAMASE

(Paraburkholderia
phymatum) 		PF13354
(Beta-lactamase2) 		7 CYH A  57
ASN A 121
ASN A 159
GLY A 227
SER A 228
GLY A 229
ASP A 230
 None
None
None
None
EDO  A 304 ( 4.8A)
EDO  A 304 (-3.4A)
EDO  A 304 (-3.7A)
 0.63A 3huoB-5vpqA:
41.2		 3huoB-5vpqA:
48.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vpq BETA-LACTAMASE

(Paraburkholderia
phymatum) 		PF13354
(Beta-lactamase2) 		6 CYH A  57
GLY A 227
ASN A 121
ASN A 159
GLY A 229
ASP A 230
 None
None
None
None
EDO  A 304 (-3.4A)
EDO  A 304 (-3.7A)
 1.16A 3huoB-5vpqA:
41.2		 3huoB-5vpqA:
48.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x5g BETA-LACTAMASE

(Serratia
marcescens) 		PF13354
(Beta-lactamase2) 		5 LYS A  59
ASN A 122
LYS A 224
GLY A 226
SER A 227
 OP0  A 305 (-3.6A)
OP0  A 305 (-3.1A)
OP0  A 305 (-3.4A)
OP0  A 305 (-3.2A)
OP0  A 305 (-2.4A)
 0.72A 3huoB-5x5gA:
34.6		 3huoB-5x5gA:
25.86
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.
5x5g BETA-LACTAMASE

(Serratia
marcescens) 		PF13354
(Beta-lactamase2) 		5 LYS A  59
LYS A 224
GLY A 226
SER A 227
ASP A 229
 OP0  A 305 (-3.6A)
OP0  A 305 (-3.4A)
OP0  A 305 (-3.2A)
OP0  A 305 (-2.4A)
OP0  A 305 (-3.6A)
 1.01A 3huoB-5x5gA:
34.6		 3huoB-5x5gA:
25.86
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.
5zqe -

(-) 		no annotation 5 LYS A  61
ASN A 120
LYS A 222
GLY A 224
ASP A 227
 CES  A 301 ( 4.1A)
CES  A 301 (-3.3A)
None
CES  A 301 (-3.2A)
None
 0.80A 3huoB-5zqeA:
22.2		 3huoB-5zqeA:
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.
6bu3 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 10 CYH A  69
LYS A  73
ASN A 104
ASN A 132
ASN A 170
LYS A 234
GLY A 236
SER A 237
GLY A 238
ARG A 276
 None
3GK  A 301 ( 4.0A)
3GK  A 301 ( 3.2A)
3GK  A 301 (-3.5A)
3GK  A 301 (-3.9A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.4A)
3GK  A 301 ( 2.7A)
3GK  A 301 (-3.6A)
SO4  A 303 (-3.8A)
 0.29A 3huoB-6bu3A:
49.4		 3huoB-6bu3A:
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.
6fm7 BETA-LACTAMASE

(Aeromonas
enteropelogenes) 		no annotation 5 LYS A  65
ASN A 150
LYS A 312
GLY A 314
SER A 315
 NXL  A 401 ( 3.9A)
NXL  A 401 (-3.5A)
NXL  A 401 (-3.6A)
NXL  A 401 (-3.3A)
NXL  A 401 (-3.4A)
 0.49A 3huoB-6fm7A:
15.2		 3huoB-6fm7A:
undetectable