SIMILAR PATTERNS OF AMINO ACIDS FOR 6B6C_A_9F2A301_1

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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1alq CP254 BETA-LACTAMASE

(Staphylococcus
aureus) 		PF13354
(Beta-lactamase2) 		5 SER A  70
SER A 130
ASN A 170
LYS A 234
GLY A 236
 None
 0.43A 6b6cA-1alqA:
27.4		 6b6cA-1alqA:
15.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bsg BETA LACTAMASE

(Streptomyces
albus) 		PF13354
(Beta-lactamase2) 		9 SER A  70
SER A 130
PRO A 167
ASN A 170
ARG A 220
LYS A 234
THR A 235
GLY A 236
GLY A 238
 None
 0.56A 6b6cA-1bsgA:
41.4		 6b6cA-1bsgA:
18.04
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.
1bue PROTEIN
(IMIPENEM-HYDROLYSIN
G BETA-LACTAMASE)

(Enterobacter
cloacae) 		PF13354
(Beta-lactamase2) 		7 SER A  70
SER A 130
ASN A 170
ARG A 220
LYS A 234
THR A 235
GLY A 236
 None
 0.40A 6b6cA-1bueA:
38.1		 6b6cA-1bueA:
16.27
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.
1dy6 CARBAPENEM-HYDROLYSI
NG BETA-LACTAMASE
SME-1

(Serratia
marcescens) 		PF13354
(Beta-lactamase2) 		7 SER A  70
SER A 130
ASN A 170
ARG A 220
LYS A 234
THR A 235
GLY A 236
 None
 0.47A 6b6cA-1dy6A:
38.6		 6b6cA-1dy6A:
16.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dy6 CARBAPENEM-HYDROLYSI
NG BETA-LACTAMASE
SME-1

(Serratia
marcescens) 		PF13354
(Beta-lactamase2) 		6 SER A 130
ASN A 170
ARG A 220
LYS A 234
THR A 235
GLY A 239
 None
 0.97A 6b6cA-1dy6A:
38.6		 6b6cA-1dy6A:
16.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		7 SER A  70
SER A 130
ARG A 220
LYS A 234
THR A 235
GLY A 236
THR A 237
 SO4  A 500 (-3.1A)
SO4  A 500 (-2.6A)
SO4  A 500 ( 4.2A)
SO4  A 500 (-3.2A)
SO4  A 500 (-3.8A)
SO4  A 500 (-3.5A)
SO4  A 500 (-3.5A)
 0.29A 6b6cA-1e25A:
31.0		 6b6cA-1e25A:
11.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g68 BETA-LACTAMASE PSE-4

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		6 SER A  70
SER A 130
PRO A 167
ASN A 170
GLY A 236
GLY A 238
 SO4  A 400 (-2.9A)
SO4  A 400 (-2.7A)
None
None
SO4  A 400 (-3.0A)
None
 0.62A 6b6cA-1g68A:
37.0		 6b6cA-1g68A:
15.86
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.
1hzo BETA-LACTAMASE

(Proteus
vulgaris) 		PF13354
(Beta-lactamase2) 		8 SER A  70
SER A 130
PRO A 167
ASN A 170
LYS A 234
THR A 235
GLY A 236
GLY A 238
 MES  A1000 (-3.1A)
MES  A1000 (-2.7A)
None
None
MES  A1000 (-2.9A)
MES  A1000 (-3.7A)
MES  A1000 (-3.1A)
None
 0.31A 6b6cA-1hzoA:
41.1		 6b6cA-1hzoA:
22.58
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.
1i2w BETA-LACTAMASE

(Bacillus
licheniformis) 		PF13354
(Beta-lactamase2) 		6 SER A  70
SER A 130
ARG A 244
LYS A 234
THR A 235
GLY A 236
 CFX  A1300 (-1.3A)
CFX  A1300 (-3.1A)
CFX  A1300 (-3.5A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.6A)
CFX  A1300 (-3.3A)
 1.16A 6b6cA-1i2wA:
41.3		 6b6cA-1i2wA:
17.48
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.
1i2w BETA-LACTAMASE

(Bacillus
licheniformis) 		PF13354
(Beta-lactamase2) 		7 SER A  70
SER A 130
PRO A 167
LYS A 234
THR A 235
GLY A 236
GLY A 238
 CFX  A1300 (-1.3A)
CFX  A1300 (-3.1A)
CFX  A1300 (-4.4A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.6A)
CFX  A1300 (-3.3A)
CFX  A1300 ( 4.1A)
 0.53A 6b6cA-1i2wA:
41.3		 6b6cA-1i2wA:
17.48
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.
1j9m DD-TRANSPEPTIDASE

(Streptomyces
sp. K15) 		PF00768
(Peptidase_S11) 		6 SER A  96
ARG A 248
LYS A 213
THR A 214
GLY A 215
GLY A 217
 NA  A 600 (-3.1A)
CL  A 601 (-3.1A)
NA  A 600 (-3.4A)
NA  A 600 (-3.9A)
NA  A 600 ( 3.6A)
None
 0.70A 6b6cA-1j9mA:
22.6		 6b6cA-1j9mA:
17.05
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.
1k38 BETA-LACTAMASE OXA-2

(Salmonella
enterica) 		PF00905
(Transpeptidase) 		6 SER A  67
SER A 115
ARG A 244
LYS A 205
THR A 206
GLY A 207
 KCX  A  70 ( 2.7A)
FMT  A 401 (-2.4A)
FMT  A 401 (-2.6A)
FMT  A 401 ( 3.8A)
FMT  A 401 (-3.7A)
FMT  A 401 (-3.6A)
 0.88A 6b6cA-1k38A:
18.9		 6b6cA-1k38A:
17.89
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.
1n4o L2 BETA-LACTAMASE

(Stenotrophomonas
maltophilia) 		PF13354
(Beta-lactamase2) 		7 SER A  70
SER A 130
PRO A 167
ASN A 170
LYS A 234
THR A 235
GLY A 236
 SO4  A1002 (-2.9A)
SO4  A1002 (-3.1A)
None
None
SO4  A1002 (-3.6A)
SO4  A1002 (-3.6A)
SO4  A1002 (-3.2A)
 0.39A 6b6cA-1n4oA:
37.6		 6b6cA-1n4oA:
17.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n9b BETA-LACTAMASE SHV-2

(Klebsiella
pneumoniae) 		PF13354
(Beta-lactamase2) 		6 SER A  70
SER A 130
ASN A 170
LYS A 234
THR A 235
GLY A 236
 EPE  A 400 (-3.7A)
EPE  A 400 (-2.5A)
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
 0.72A 6b6cA-1n9bA:
33.6		 6b6cA-1n9bA:
17.12
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.
1nrf REGULATORY PROTEIN
BLAR1

(Bacillus
licheniformis) 		PF00905
(Transpeptidase) 		6 SER A 402
SER A 450
LYS A 539
THR A 540
GLY A 541
THR A 542
 None
 0.56A 6b6cA-1nrfA:
18.9		 6b6cA-1nrfA:
14.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w5d PENICILLIN-BINDING
PROTEIN

(Bacillus
subtilis) 		PF02113
(Peptidase_S13) 		5 SER A  52
SER A 299
LYS A 411
THR A 412
GLY A 413
 None
 0.38A 6b6cA-1w5dA:
19.7		 6b6cA-1w5dA:
11.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Streptococcus
pneumoniae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		7 SER A  56
SER A 119
ARG A 278
LYS A 239
THR A 240
GLY A 241
THR A 242
 SO4  A 464 (-3.4A)
SO4  A 464 (-3.4A)
SO4  A 464 ( 4.1A)
SO4  A 464 (-3.5A)
SO4  A 464 (-4.0A)
SO4  A 464 ( 3.8A)
SO4  A 464 (-4.0A)
 0.42A 6b6cA-1xp4A:
20.5		 6b6cA-1xp4A:
13.98
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.
1zg4 BETA-LACTAMASE TEM

(Escherichia
coli) 		PF13354
(Beta-lactamase2) 		7 SER A  70
SER A 130
PRO A 167
ASN A 170
LYS A 234
GLY A 236
GLY A 238
 None
 0.41A 6b6cA-1zg4A:
36.3		 6b6cA-1zg4A:
14.69
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.
2cc1 BETA-LACTAMASE

(Mycolicibacterium
fortuitum) 		PF13354
(Beta-lactamase2) 		7 SER A  70
SER A 130
ASN A 170
LYS A 234
THR A 235
GLY A 236
GLY A 238
 None
 0.34A 6b6cA-2cc1A:
39.5		 6b6cA-2cc1A:
16.79
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.
2cc1 BETA-LACTAMASE

(Mycolicibacterium
fortuitum) 		PF13354
(Beta-lactamase2) 		6 SER A  70
SER A 130
PRO A 104
LYS A 234
THR A 235
GLY A 236
 None
 1.26A 6b6cA-2cc1A:
39.5		 6b6cA-2cc1A:
16.79
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.
2exa PENICILLIN-BINDING
PROTEIN 4

(Escherichia
coli) 		PF02113
(Peptidase_S13) 		5 SER A  62
SER A 306
LYS A 417
THR A 418
GLY A 419
 DGF  A 501 (-1.3A)
DGF  A 501 (-3.3A)
None
None
DGF  A 501 (-3.4A)
 0.42A 6b6cA-2exaA:
17.2		 6b6cA-2exaA:
11.60
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.
2fff PENICILLIN-BINDING
PROTEIN 1B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		6 SER B 460
SER B 516
LYS B 651
THR B 652
GLY B 653
THR B 654
 None
 0.61A 6b6cA-2fffB:
16.4		 6b6cA-2fffB:
9.71
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.
2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN

(Staphylococcus
aureus) 		PF00905
(Transpeptidase) 		7 SER A 391
SER A 439
LYS A 528
THR A 529
GLY A 530
THR A 531
GLY A 532
 GOL  A 604 ( 2.7A)
GOL  A 604 (-2.6A)
GOL  A 604 (-2.9A)
GOL  A 604 (-3.7A)
GOL  A 605 ( 3.2A)
GOL  A 604 ( 3.6A)
None
 0.49A 6b6cA-2iwbA:
19.0		 6b6cA-2iwbA:
17.83
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.
2j7v TLL2115 PROTEIN

(Synechococcus
elongatus) 		PF13354
(Beta-lactamase2) 		5 SER A  61
SER A 122
LYS A 219
THR A 220
GLY A 221
 None
 0.36A 6b6cA-2j7vA:
32.2		 6b6cA-2j7vA:
12.71
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.
2jch PENICILLIN-BINDING
PROTEIN 1B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		6 SER A 460
SER A 516
LYS A 651
THR A 652
GLY A 653
THR A 654
 PL7  A1793 (-1.4A)
PL7  A1793 (-3.0A)
PL7  A1793 ( 4.1A)
PL7  A1793 (-3.9A)
PL7  A1793 (-3.3A)
PL7  A1793 (-4.1A)
 0.59A 6b6cA-2jchA:
15.3		 6b6cA-2jchA:
8.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wuq BETA-LACTAMASE
REGULATORY PROTEIN
BLAB

(Streptomyces
cacaoi) 		PF13354
(Beta-lactamase2) 		7 SER A  47
SER A 109
ARG A 239
LYS A 254
THR A 255
GLY A 256
THR A 257
 None
 0.48A 6b6cA-2wuqA:
29.0		 6b6cA-2wuqA:
14.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wyx BETA-LACTAMSE TOHO-1

(Escherichia
coli) 		PF13354
(Beta-lactamase2) 		8 SER A  70
SER A 130
PRO A 167
ASN A 170
LYS A 234
THR A 235
GLY A 236
GLY A 238
 None
 0.64A 6b6cA-2wyxA:
40.5		 6b6cA-2wyxA:
18.53
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.
2zj9 AMPC

(Escherichia
coli) 		PF00144
(Beta-lactamase) 		6 SER A  64
ARG A 214
ARG A 349
LYS A 315
THR A 316
GLY A 317
 None
 1.11A 6b6cA-2zj9A:
14.3		 6b6cA-2zj9A:
12.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a3i PENICILLIN-BINDING
PROTEIN 4

(Haemophilus
influenzae) 		PF02113
(Peptidase_S13) 		5 SER A  69
SER A 310
LYS A 420
THR A 421
GLY A 422
 AIX  A 501 (-1.3A)
AIX  A 501 (-2.8A)
AIX  A 501 ( 3.8A)
AIX  A 501 (-3.4A)
AIX  A 501 (-3.4A)
 0.40A 6b6cA-3a3iA:
19.8		 6b6cA-3a3iA:
12.53
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.
3bfg CLASS A
BETA-LACTAMASE SED1

(Citrobacter
sedlakii) 		PF13354
(Beta-lactamase2) 		7 SER A  70
SER A 130
PRO A 167
ASN A 170
LYS A 234
THR A 235
GLY A 236
 MER  A 301 (-1.3A)
MER  A 301 (-2.6A)
None
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.5A)
MER  A 301 (-3.0A)
 0.53A 6b6cA-3bfgA:
41.1		 6b6cA-3bfgA:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3byd BETA-LACTAMASE OXY-1

(Klebsiella
oxytoca) 		PF13354
(Beta-lactamase2) 		8 SER A  73
SER A 133
PRO A 170
ASN A 173
LYS A 237
THR A 238
GLY A 239
GLY A 241
 SO4  A 301 (-2.9A)
SO4  A 301 (-2.8A)
None
None
SO4  A 301 (-3.1A)
SO4  A 301 (-3.9A)
SO4  A 301 (-3.3A)
None
 0.40A 6b6cA-3bydA:
41.3		 6b6cA-3bydA:
19.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cjm PUTATIVE
BETA-LACTAMASE

(Enterococcus
faecalis) 		PF13354
(Beta-lactamase2) 		5 SER A 108
SER A 169
ARG A 244
LYS A 257
GLY A 259
 NO3  A   1 (-2.9A)
None
EDO  A   6 ( 4.5A)
None
None
 0.37A 6b6cA-3cjmA:
26.1		 6b6cA-3cjmA:
13.86
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.
3dwk PENICILLIN-BINDING
PROTEIN 2

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		6 SER A 398
SER A 454
LYS A 583
THR A 584
GLY A 585
GLY A 587
 SO4  A  26 (-2.7A)
SO4  A  26 (-3.1A)
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.6A)
SO4  A  26 (-3.3A)
None
 0.77A 6b6cA-3dwkA:
18.1		 6b6cA-3dwkA:
8.84
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.
3dwk PENICILLIN-BINDING
PROTEIN 2

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		6 SER A 454
LYS A 583
THR A 584
GLY A 585
THR A 586
GLY A 587
 SO4  A  26 (-3.1A)
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.6A)
SO4  A  26 (-3.3A)
SO4  A  26 (-3.5A)
None
 0.60A 6b6cA-3dwkA:
18.1		 6b6cA-3dwkA:
8.84
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) 		12 SER A  84
ILE A 117
SER A 142
PRO A 183
ASN A 186
ARG A 187
ARG A 236
LYS A 250
THR A 251
GLY A 252
THR A 253
GLY A 254
 DWZ  A 400 (-1.3A)
DWZ  A 400 (-4.0A)
DWZ  A 400 (-2.7A)
None
DWZ  A 400 ( 4.0A)
None
DWZ  A 400 ( 4.3A)
DWZ  A 400 ( 3.8A)
DWZ  A 400 (-3.5A)
DWZ  A 400 (-3.3A)
DWZ  A 400 (-4.1A)
None
 0.44A 6b6cA-3dwzA:
47.1		 6b6cA-3dwzA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hum PENICILLIN-BINDING
PROTEIN 4

(Staphylococcus
aureus) 		PF00768
(Peptidase_S11)
PF09211
(DUF1958) 		6 SER A  75
ARG A 186
ARG A 300
LYS A 259
THR A 260
GLY A 261
 CEW  A 501 (-2.6A)
None
CEW  A 501 ( 4.8A)
CEW  A 501 ( 4.4A)
CEW  A 501 ( 4.3A)
CEW  A 501 (-3.1A)
 1.39A 6b6cA-3humA:
22.6		 6b6cA-3humA:
11.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hum PENICILLIN-BINDING
PROTEIN 4

(Staphylococcus
aureus) 		PF00768
(Peptidase_S11)
PF09211
(DUF1958) 		5 SER A  75
SER A 139
LYS A 259
THR A 260
GLY A 261
 CEW  A 501 (-2.6A)
CEW  A 501 (-3.4A)
CEW  A 501 ( 4.4A)
CEW  A 501 ( 4.3A)
CEW  A 501 (-3.1A)
 0.40A 6b6cA-3humA:
22.6		 6b6cA-3humA:
11.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3if6 OXA-46 OXACILLINASE

(Pseudomonas
aeruginosa) 		PF00905
(Transpeptidase) 		6 SER C  72
SER C 120
ARG C 249
LYS C 210
THR C 211
GLY C 212
 KCX  C  75 ( 2.7A)
KCX  C  75 ( 3.5A)
None
KCX  C  75 ( 4.4A)
None
None
 0.82A 6b6cA-3if6C:
18.2		 6b6cA-3if6C:
15.93
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.
3lez BETA-LACTAMASE

(Oceanobacillus
iheyensis) 		PF13354
(Beta-lactamase2) 		6 SER A  85
ASN A 183
LYS A 247
THR A 248
GLY A 249
GLY A 251
 EPE  A 305 (-3.4A)
None
EPE  A 305 (-3.1A)
EPE  A 305 (-3.6A)
EPE  A 305 (-3.4A)
None
 0.36A 6b6cA-3lezA:
40.4		 6b6cA-3lezA:
18.97
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.
3mfd D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACB

(Bacillus
subtilis) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		5 SER A  60
SER A 115
LYS A 220
THR A 221
GLY A 222
 CIT  A   1 (-2.5A)
CIT  A   1 (-2.8A)
CIT  A   1 ( 3.7A)
CIT  A   1 (-3.7A)
CIT  A   1 (-3.3A)
 0.33A 6b6cA-3mfdA:
22.4		 6b6cA-3mfdA:
13.00
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.
3p09 BETA-LACTAMASE

(Francisella
tularensis) 		PF13354
(Beta-lactamase2) 		9 SER A  61
SER A 122
PRO A 159
ASN A 162
ARG A 212
LYS A 226
THR A 227
GLY A 228
THR A 229
 SO4  A 288 (-3.1A)
SO4  A 288 (-2.7A)
None
None
SO4  A 288 ( 4.4A)
SO4  A 288 (-3.5A)
SO4  A 288 (-3.6A)
SO4  A 288 (-3.3A)
SO4  A 288 (-3.4A)
 0.40A 6b6cA-3p09A:
38.9		 6b6cA-3p09A:
25.37
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.
3q7z BETA-LACTAMASE
REGULATORY PROTEIN
BLAR1

(Staphylococcus
aureus) 		PF00905
(Transpeptidase) 		7 SER A 389
SER A 437
LYS A 526
THR A 527
GLY A 528
THR A 529
GLY A 530
 BOU  A 584 (-1.4A)
BOU  A 584 (-2.8A)
BOU  A 584 (-3.3A)
BOU  A 584 (-3.6A)
BOU  A 584 (-3.7A)
BOU  A 584 (-3.6A)
BOU  A 584 ( 3.9A)
 0.47A 6b6cA-3q7zA:
17.7		 6b6cA-3q7zA:
14.22
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.
3qhy BETA-LACTAMASE

(Bacillus
anthracis) 		PF13354
(Beta-lactamase2) 		6 SER A  70
SER A 130
ASN A 170
LYS A 234
GLY A 236
GLY A 238
 None
 0.29A 6b6cA-3qhyA:
41.6		 6b6cA-3qhyA:
23.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qnb OXACILLINASE

(Escherichia
coli) 		PF00905
(Transpeptidase) 		6 SER A  67
PRO A 118
ARG A 250
LYS A 205
THR A 206
GLY A 207
 KCX  A  70 ( 2.7A)
None
SO4  A   4 (-3.4A)
KCX  A  70 ( 4.7A)
SO4  A   4 (-2.9A)
None
 1.44A 6b6cA-3qnbA:
18.7		 6b6cA-3qnbA:
14.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qnb OXACILLINASE

(Escherichia
coli) 		PF00905
(Transpeptidase) 		7 SER A  67
SER A 115
ARG A 250
LYS A 205
THR A 206
GLY A 207
GLY A 209
 KCX  A  70 ( 2.7A)
KCX  A  70 ( 4.6A)
SO4  A   4 (-3.4A)
KCX  A  70 ( 4.7A)
SO4  A   4 (-2.9A)
None
None
 0.96A 6b6cA-3qnbA:
18.7		 6b6cA-3qnbA:
14.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ue1 PENICILLIN-BINDING
PROTEIN 1A

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		6 SER A 434
SER A 487
LYS A 669
THR A 670
GLY A 671
THR A 672
 UE1  A 998 (-1.7A)
UE1  A 998 (-3.3A)
UE1  A 998 ( 3.8A)
UE1  A 998 (-3.4A)
UE1  A 998 (-3.4A)
UE1  A 998 (-3.6A)
 0.72A 6b6cA-3ue1A:
15.8		 6b6cA-3ue1A:
7.87
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.
3ue3 SEPTUM FORMATION,
PENICILLIN BINDING
PROTEIN 3,
PEPTIDOGLYCAN
SYNTHETASE

(Acinetobacter
sp. ATCC 27244) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		6 SER A 336
SER A 390
LYS A 525
THR A 526
GLY A 527
THR A 528
 None
 0.80A 6b6cA-3ue3A:
16.6		 6b6cA-3ue3A:
9.98
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.
3v39 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Bdellovibrio
bacteriovorus) 		PF02113
(Peptidase_S13) 		5 SER A  70
SER A 251
LYS A 357
THR A 358
GLY A 359
 TAU  A 501 (-1.5A)
TAU  A 501 (-2.6A)
TAU  A 501 ( 4.3A)
None
TAU  A 501 (-3.5A)
 0.33A 6b6cA-3v39A:
16.9		 6b6cA-3v39A:
11.89
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.
3w4q BETA-LACTAMASE

(Burkholderia
multivorans) 		PF13354
(Beta-lactamase2) 		9 SER A  70
SER A 130
ASN A 170
ARG A 220
LYS A 234
THR A 235
GLY A 236
THR A 237
GLY A 238
 None
 0.34A 6b6cA-3w4qA:
41.1		 6b6cA-3w4qA:
17.18
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.
3zdj ENCA BETA-LACTAMASE

(synthetic
construct) 		PF13354
(Beta-lactamase2) 		7 SER A  70
SER A 130
ASN A 170
LYS A 234
THR A 235
GLY A 236
GLY A 238
 SO4  A1291 (-3.4A)
SO4  A1291 (-3.1A)
None
SO4  A1291 (-3.3A)
SO4  A1291 (-3.6A)
SO4  A1291 (-3.3A)
None
 0.36A 6b6cA-3zdjA:
36.3		 6b6cA-3zdjA:
15.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zny CTX-M-12A ENZYME

(Klebsiella
pneumoniae) 		PF13354
(Beta-lactamase2) 		8 SER A  70
SER A 130
PRO A 167
ASN A 170
LYS A 234
THR A 235
GLY A 236
GLY A 238
 None
 0.43A 6b6cA-3znyA:
41.5		 6b6cA-3znyA:
22.93
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.
4c6y BETA-LACTAMASE

(synthetic
construct) 		PF13354
(Beta-lactamase2) 		10 SER A  70
SER A 130
PRO A 167
ASN A 170
ARG A 220
LYS A 234
THR A 235
GLY A 236
THR A 237
GLY A 238
 PEG  A 307 (-2.4A)
PEG  A 307 (-2.4A)
GOL  A 306 (-4.0A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 3.6A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-3.0A)
PEG  A 307 (-2.7A)
PEG  A 307 (-3.9A)
None
 0.41A 6b6cA-4c6yA:
40.2		 6b6cA-4c6yA:
25.82
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.
4c75 BETA-LACTAMASE

(synthetic
construct) 		PF13354
(Beta-lactamase2) 		9 SER A  70
SER A 130
PRO A 167
ASN A 170
LYS A 234
THR A 235
GLY A 236
THR A 237
GLY A 238
 NA  A 294 ( 2.5A)
SO4  A 291 (-2.8A)
None
None
SO4  A 291 (-3.4A)
SO4  A 291 (-3.8A)
NA  A 294 ( 3.2A)
SO4  A 291 ( 3.4A)
None
 0.44A 6b6cA-4c75A:
39.9		 6b6cA-4c75A:
24.39
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.
4d2o PER-2 BETA-LACTAMASE

(Citrobacter
freundii) 		PF13354
(Beta-lactamase2) 		7 SER A  70
SER A 130
ARG A 220
LYS A 234
THR A 235
GLY A 236
THR A 237
 None
 0.49A 6b6cA-4d2oA:
30.9		 6b6cA-4d2oA:
13.73
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.
4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1

(Serratia
fonticola) 		PF13354
(Beta-lactamase2) 		8 SER A  70
SER A 130
ASN A 170
ARG A 220
LYS A 234
THR A 235
GLY A 236
THR A 237
 MER  A 401 (-1.3A)
MER  A 401 (-2.8A)
MER  A 401 (-2.9A)
MER  A 401 ( 3.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.5A)
MER  A 401 (-3.6A)
MER  A 401 (-3.7A)
 0.48A 6b6cA-4ev4A:
39.2		 6b6cA-4ev4A:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1

(Serratia
fonticola) 		PF13354
(Beta-lactamase2) 		7 SER A  70
SER A 130
PRO A 104
ARG A 220
LYS A 234
THR A 235
THR A 237
 MER  A 401 (-1.3A)
MER  A 401 (-2.8A)
None
MER  A 401 ( 3.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.5A)
MER  A 401 (-3.7A)
 1.29A 6b6cA-4ev4A:
39.2		 6b6cA-4ev4A:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ewf BETA-LACTAMASE

(Sphaerobacter
thermophilus) 		PF13354
(Beta-lactamase2) 		6 SER A  49
SER A 110
ARG A 148
LYS A 213
THR A 214
GLY A 215
 SO4  A 301 (-3.1A)
SO4  A 301 (-3.1A)
None
SO4  A 301 (-3.0A)
SO4  A 301 (-3.8A)
SO4  A 301 (-3.5A)
 0.94A 6b6cA-4ewfA:
30.6		 6b6cA-4ewfA:
15.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ewf BETA-LACTAMASE

(Sphaerobacter
thermophilus) 		PF13354
(Beta-lactamase2) 		6 SER A  49
SER A 110
ARG A 197
LYS A 213
THR A 214
GLY A 215
 SO4  A 301 (-3.1A)
SO4  A 301 (-3.1A)
SO4  A 301 ( 3.7A)
SO4  A 301 (-3.0A)
SO4  A 301 (-3.8A)
SO4  A 301 (-3.5A)
 0.37A 6b6cA-4ewfA:
30.6		 6b6cA-4ewfA:
15.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gn2 OXACILLINASE

(Pseudomonas
aeruginosa) 		PF00905
(Transpeptidase) 		7 SER A  63
SER A 112
LYS A 208
THR A 209
GLY A 210
THR A 211
GLY A 212
 KCX  A  66 ( 2.9A)
KCX  A  66 ( 3.5A)
KCX  A  66 ( 4.5A)
None
None
None
None
 0.44A 6b6cA-4gn2A:
17.2		 6b6cA-4gn2A:
20.81
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.
4hes BETA-LACTAMASE CLASS
A-LIKE PROTEIN

(Veillonella
parvula) 		PF13354
(Beta-lactamase2) 		5 SER A  56
SER A 117
LYS A 217
THR A 218
GLY A 219
 GOL  A 301 (-3.0A)
GOL  A 301 (-2.7A)
GOL  A 301 ( 4.6A)
GOL  A 301 (-3.7A)
GOL  A 301 (-3.5A)
 0.44A 6b6cA-4hesA:
27.4		 6b6cA-4hesA:
16.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ied CLASS D
BETA-LACTAMASE

(Fusobacterium
nucleatum) 		PF00905
(Transpeptidase) 		6 SER A  57
SER A 106
ARG A 239
LYS A 196
THR A 197
GLY A 198
 KCX  A  60 ( 2.7A)
KCX  A  60 ( 3.4A)
None
KCX  A  60 ( 4.5A)
None
None
 0.79A 6b6cA-4iedA:
19.2		 6b6cA-4iedA:
15.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k0x BETA-LACTAMASE

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase) 		6 SER A  79
SER A 126
ARG A 259
LYS A 216
THR A 217
GLY A 218
 KCX  A  82 (-2.5A)
BCT  A 301 (-2.8A)
BCT  A 301 (-3.0A)
BCT  A 301 (-3.0A)
BCT  A 301 (-3.5A)
BCT  A 301 (-3.4A)
 0.83A 6b6cA-4k0xA:
19.3		 6b6cA-4k0xA:
16.15
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.
4mll BETA-LACTAMASE OXA-1

(Escherichia
coli) 		PF00905
(Transpeptidase) 		6 SER A  67
SER A 115
LYS A 212
THR A 213
GLY A 214
GLY A 216
 1S6  A 301 (-1.3A)
1S6  A 301 (-2.9A)
None
1S6  A 301 (-3.6A)
1S6  A 301 (-3.3A)
1S6  A 301 ( 3.7A)
 0.82A 6b6cA-4mllA:
19.7		 6b6cA-4mllA:
12.33
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.
4oon PENICILLIN-BINDING
PROTEIN 1A

(Pseudomonas
aeruginosa) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		6 SER A 461
SER A 520
LYS A 695
THR A 696
GLY A 697
THR A 698
 2U4  A 901 (-1.3A)
2U4  A 901 (-3.6A)
2U4  A 901 ( 4.3A)
2U4  A 901 (-3.7A)
2U4  A 901 (-3.7A)
2U4  A 901 (-3.8A)
 0.65A 6b6cA-4oonA:
16.2		 6b6cA-4oonA:
7.94
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.
4ovd PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Atopobium
parvulum) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		6 SER A 361
LYS A 500
THR A 501
GLY A 502
THR A 503
GLY A 504
 CA  A 601 ( 3.8A)
CA  A 601 ( 4.1A)
CA  A 601 (-4.0A)
CA  A 601 ( 4.2A)
None
None
 1.01A 6b6cA-4ovdA:
17.1		 6b6cA-4ovdA:
9.37
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.
4ppr PENICILLIN-BINDING
PROTEIN DACB1

(Mycobacterium
tuberculosis) 		PF00768
(Peptidase_S11) 		5 SER A 121
SER A 176
LYS A 282
THR A 283
GLY A 284
 MER  A 400 (-1.3A)
MER  A 400 (-2.5A)
MER  A 400 (-3.0A)
MER  A 400 (-3.6A)
MER  A 400 (-3.1A)
 0.37A 6b6cA-4pprA:
20.1		 6b6cA-4pprA:
13.46
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.
4ra7 PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Atopobium
parvulum) 		PF00905
(Transpeptidase) 		6 SER A 682
SER A 737
LYS A 890
THR A 891
GLY A 892
THR A 893
 NXU  A1001 (-1.3A)
NXU  A1001 (-3.2A)
NXU  A1001 (-3.5A)
NXU  A1001 (-3.3A)
NXU  A1001 (-3.4A)
NXU  A1001 (-3.9A)
 0.62A 6b6cA-4ra7A:
16.5		 6b6cA-4ra7A:
13.23
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.
4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Mycobacterium
tuberculosis) 		PF00768
(Peptidase_S11) 		5 SER A  69
SER A 124
LYS A 230
THR A 231
GLY A 232
 None
 0.39A 6b6cA-4ryeA:
21.7		 6b6cA-4ryeA:
15.83
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.
4yfm BETA-LACTAMASE

(Mycobacteroides
abscessus) 		PF13354
(Beta-lactamase2) 		7 SER A  71
SER A 131
ASN A 171
LYS A 233
THR A 234
GLY A 235
GLY A 237
 ACT  A 301 (-3.5A)
ACT  A 301 (-2.9A)
None
ACT  A 301 (-3.4A)
ACT  A 301 (-3.5A)
ACT  A 301 (-3.3A)
None
 0.38A 6b6cA-4yfmA:
39.4		 6b6cA-4yfmA:
17.83
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.
4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2

(Legionella
pneumophila) 		PF00905
(Transpeptidase) 		6 SER A 400
SER A 454
LYS A 568
THR A 569
GLY A 570
THR A 571
 NHE  A 901 (-3.2A)
NHE  A 901 (-2.9A)
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
NHE  A 901 (-3.6A)
NHE  A 901 (-3.8A)
 0.56A 6b6cA-4ztkA:
16.2		 6b6cA-4ztkA:
11.74
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.
5aqa OFF7_DB04V3

(synthetic
construct) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13354
(Beta-lactamase2) 		7 SER A 200
SER A 260
PRO A 297
ASN A 300
LYS A 364
GLY A 366
GLY A 368
 None
 0.68A 6b6cA-5aqaA:
35.4		 6b6cA-5aqaA:
11.27
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.
5cer BD0816

(Bdellovibrio
bacteriovorus) 		PF02113
(Peptidase_S13) 		5 SER A 239
LYS A 345
THR A 346
GLY A 347
THR A 348
 None
 0.33A 6b6cA-5cerA:
17.8		 6b6cA-5cerA:
11.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ctm BETA-LACTAMASE

(Bacillus
pumilus) 		PF00905
(Transpeptidase) 		6 SER A 101
SER A 149
LYS A 239
THR A 240
GLY A 241
GLY A 243
 KCX  A 104 (-2.2A)
FLC  A 301 (-2.5A)
FLC  A 301 (-3.0A)
FLC  A 301 (-3.8A)
FLC  A 301 (-3.2A)
None
 0.69A 6b6cA-5ctmA:
17.8		 6b6cA-5ctmA:
13.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cxw PENICILLIN-BINDING
PROTEIN 1A

(Mycobacterium
tuberculosis) 		PF00905
(Transpeptidase) 		6 SER A 345
SER A 398
LYS A 539
THR A 540
GLY A 541
THR A 542
 35P  A 702 (-1.3A)
35P  A 702 (-2.9A)
35P  A 702 (-3.3A)
35P  A 702 (-3.5A)
35P  A 702 (-3.5A)
35P  A 702 (-3.7A)
 0.46A 6b6cA-5cxwA:
17.2		 6b6cA-5cxwA:
13.23
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.
5dwm PHOSPHINOTHRICIN
N-ACETYLTRANSFERASE

(Brucella ovis) 		PF13420
(Acetyltransf_4) 		6 SER A  29
ILE A  32
PRO A  34
GLY A  28
THR A  27
GLY A  26
 None
 1.12A 6b6cA-5dwmA:
undetectable		 6b6cA-5dwmA:
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.
5e2e BETA-LACTAMASE

(Yersinia
enterocolitica) 		PF13354
(Beta-lactamase2) 		7 SER A  47
SER A 107
PRO A 144
ASN A 147
ARG A 251
GLY A 213
GLY A 215
 None
 0.98A 6b6cA-5e2eA:
40.6		 6b6cA-5e2eA:
14.50
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.
5e2e BETA-LACTAMASE

(Yersinia
enterocolitica) 		PF13354
(Beta-lactamase2) 		8 SER A  47
SER A 107
PRO A 144
ASN A 147
LYS A 211
THR A 212
GLY A 213
GLY A 215
 None
 0.56A 6b6cA-5e2eA:
40.6		 6b6cA-5e2eA:
14.50
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.
5e2f BETA-LACTAMASE YBXI

(Bacillus
subtilis) 		PF00905
(Transpeptidase) 		5 SER A  76
LYS A 214
THR A 215
GLY A 216
THR A 217
 ALY  A  79 ( 2.4A)
EDO  A 303 ( 4.4A)
EDO  A 303 (-3.7A)
EDO  A 303 (-3.5A)
EDO  A 303 (-3.8A)
 0.31A 6b6cA-5e2fA:
17.6		 6b6cA-5e2fA:
14.07
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.
5e43 BETA-LACTAMASE

(Streptosporangium
roseum) 		PF13354
(Beta-lactamase2) 		8 SER A  70
SER A 131
ASN A 171
ARG A 221
LYS A 235
THR A 236
GLY A 237
THR A 238
 ACT  A 311 (-3.2A)
ACT  A 311 (-3.0A)
None
ACT  A 311 (-4.5A)
ACT  A 311 (-3.3A)
ACT  A 311 (-3.7A)
ACT  A 311 (-3.2A)
ACT  A 311 (-3.8A)
 0.38A 6b6cA-5e43A:
40.8		 6b6cA-5e43A:
15.11
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.
5eoe BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		7 SER A  62
SER A 123
PRO A 160
ASN A 163
LYS A 227
THR A 228
GLY A 229
 CIT  A 303 (-2.8A)
CIT  A 303 (-2.5A)
None
None
CIT  A 303 (-3.5A)
CIT  A 303 (-3.6A)
CIT  A 303 (-3.5A)
 0.40A 6b6cA-5eoeA:
39.1		 6b6cA-5eoeA:
16.08
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.
5f83 BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		7 SER A  64
SER A 125
PRO A 162
LYS A 229
THR A 230
GLY A 231
THR A 232
 IM2  A 301 (-1.4A)
IM2  A 301 (-2.7A)
None
IM2  A 301 (-3.3A)
IM2  A 301 (-3.6A)
IM2  A 301 (-3.3A)
IM2  A 301 (-4.0A)
 0.63A 6b6cA-5f83A:
38.3		 6b6cA-5f83A:
15.99
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.
5gl9 BETA-LACTAMASE

(Burkholderia
thailandensis) 		PF13354
(Beta-lactamase2) 		9 SER A  70
SER A 130
ASN A 170
ARG A 220
LYS A 234
THR A 235
GLY A 236
THR A 237
GLY A 238
 None
 0.31A 6b6cA-5gl9A:
41.1		 6b6cA-5gl9A:
18.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hlb PENICILLIN-BINDING
PROTEIN 1B

(Escherichia
coli) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF14814
(UB2H) 		6 SER A 510
SER A 572
LYS A 698
THR A 699
GLY A 700
THR A 701
 AZR  A 902 (-1.4A)
AZR  A 902 ( 3.7A)
AZR  A 902 ( 4.5A)
AZR  A 902 (-3.5A)
AZR  A 902 (-3.3A)
AZR  A 902 (-4.3A)
 0.66A 6b6cA-5hlbA:
17.7		 6b6cA-5hlbA:
8.41
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) 		7 SER A  70
PRO A 168
ASN A 171
ARG A 172
ARG A 219
GLY A 235
THR A 236
 SO4  A 301 (-2.7A)
None
ACT  A 310 (-4.0A)
None
SO4  A 301 ( 4.2A)
SO4  A 301 (-3.4A)
SO4  A 301 (-3.5A)
 0.65A 6b6cA-5hw3A:
38.4		 6b6cA-5hw3A:
40.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hx9 BETA-LACTAMASE

(Burkholderia
vietnamiensis) 		PF13354
(Beta-lactamase2) 		6 PRO A 167
ASN A 170
LYS A 234
GLY A 236
THR A 237
GLY A 238
 None
None
EDO  A 303 (-2.6A)
None
None
None
 0.63A 6b6cA-5hx9A:
38.6		 6b6cA-5hx9A:
21.14
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.
5ihv BETA-LACTAMASE

(Burkholderia
ambifaria) 		PF13354
(Beta-lactamase2) 		6 PRO A 144
ASN A 147
LYS A 211
GLY A 213
THR A 214
GLY A 215
 None
None
EDO  A 302 (-2.8A)
None
None
None
 0.67A 6b6cA-5ihvA:
38.8		 6b6cA-5ihvA:
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.
5iy2 BETA-LACTAMASE
OXA-143

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase) 		6 SER A  81
SER A 128
ARG A 261
LYS A 218
GLY A 220
GLY A 222
 KCX  A  84 (-2.7A)
GOL  A 301 (-3.6A)
GOL  A 301 (-3.1A)
GOL  A 301 ( 4.7A)
GOL  A 301 (-3.3A)
None
 1.01A 6b6cA-5iy2A:
19.3		 6b6cA-5iy2A:
17.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kzh BETA-LACTAMASE

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase) 		6 ILE A 129
SER A 127
ARG A 260
LYS A 217
GLY A 219
GLY A 221
 KCX  A  83 ( 4.2A)
FMT  A 301 (-3.3A)
None
KCX  A  83 ( 4.9A)
FMT  A 301 (-3.3A)
None
 1.37A 6b6cA-5kzhA:
19.6		 6b6cA-5kzhA:
17.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kzh BETA-LACTAMASE

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase) 		6 SER A  80
SER A 127
ARG A 260
LYS A 217
GLY A 219
GLY A 221
 FMT  A 301 (-2.5A)
FMT  A 301 (-3.3A)
None
KCX  A  83 ( 4.9A)
FMT  A 301 (-3.3A)
None
 0.88A 6b6cA-5kzhA:
19.6		 6b6cA-5kzhA:
17.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ll7 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 8 SER A  70
SER A 130
ASN A 170
ARG A 220
LYS A 234
THR A 235
GLY A 236
THR A 237
 6YV  A 301 (-1.7A)
6YV  A 301 (-2.6A)
6YV  A 301 (-2.9A)
6YV  A 301 ( 3.7A)
6YV  A 301 (-3.6A)
6YV  A 301 (-3.6A)
6YV  A 301 ( 4.0A)
6YV  A 301 (-3.6A)
 0.47A 6b6cA-5ll7A:
40.0		 6b6cA-5ll7A:
40.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ll7 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 6 SER A 130
PRO A 104
ARG A 220
LYS A 234
THR A 235
THR A 237
 6YV  A 301 (-2.6A)
None
6YV  A 301 ( 3.7A)
6YV  A 301 (-3.6A)
6YV  A 301 (-3.6A)
6YV  A 301 (-3.6A)
 1.34A 6b6cA-5ll7A:
40.0		 6b6cA-5ll7A:
40.00
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.
5tfq BETA-LACTAMASE

(Bacteroides
cellulosilyticus) 		PF13354
(Beta-lactamase2) 		5 SER A  48
SER A 112
LYS A 215
THR A 216
GLY A 217
 PO4  A 301 (-3.8A)
PO4  A 301 (-2.6A)
PO4  A 301 (-3.2A)
PO4  A 301 ( 3.6A)
PO4  A 301 (-3.3A)
 0.38A 6b6cA-5tfqA:
31.2		 6b6cA-5tfqA:
11.76
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.
5tr7 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Vibrio cholerae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		6 SER A  66
SER A 129
ARG A 267
LYS A 232
THR A 233
GLY A 234
 None
None
NO2  A 403 (-3.7A)
None
None
None
 0.70A 6b6cA-5tr7A:
22.1		 6b6cA-5tr7A:
13.71
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.
5tro PENICILLIN-BINDING
PROTEIN 1

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		6 SER A 314
SER A 368
LYS A 513
THR A 514
GLY A 515
THR A 516
 None
 0.43A 6b6cA-5troA:
16.8		 6b6cA-5troA:
10.38
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.
5ty7 PENICILLIN-BINDING
PROTEIN 4

(Staphylococcus
aureus) 		no annotation 6 SER A  75
SER A 139
ARG A 186
LYS A 259
THR A 260
GLY A 261
 NFF  A 401 (-1.1A)
NFF  A 401 (-3.4A)
None
NFF  A 401 ( 4.8A)
NFF  A 401 (-3.9A)
NFF  A 401 (-3.7A)
 1.09A 6b6cA-5ty7A:
20.6		 6b6cA-5ty7A:
19.32
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.
5vfd BETA-LACTAMASE

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase) 		6 SER A  81
SER A 128
ARG A 261
LYS A 218
GLY A 220
GLY A 222
 9CP  A 306 (-1.4A)
9CP  A 306 (-2.8A)
9CP  A 306 (-2.7A)
9CP  A 306 (-3.0A)
9CP  A 306 (-3.5A)
9CP  A 306 ( 4.4A)
 0.90A 6b6cA-5vfdA:
19.0		 6b6cA-5vfdA:
17.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vpq BETA-LACTAMASE

(Paraburkholderia
phymatum) 		PF13354
(Beta-lactamase2) 		8 SER A  58
SER A 119
PRO A 156
ASN A 159
ARG A 210
THR A 226
GLY A 227
GLY A 229
 None
None
None
None
None
None
None
EDO  A 304 (-3.4A)
 0.62A 6b6cA-5vpqA:
39.4		 6b6cA-5vpqA:
16.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x5g BETA-LACTAMASE

(Serratia
marcescens) 		PF13354
(Beta-lactamase2) 		6 SER A  56
SER A 120
ARG A 210
LYS A 224
THR A 225
GLY A 226
 OP0  A 305 (-1.5A)
OP0  A 305 (-2.7A)
OP0  A 305 (-3.6A)
OP0  A 305 (-3.4A)
OP0  A 305 (-3.7A)
OP0  A 305 (-3.2A)
 0.37A 6b6cA-5x5gA:
32.6		 6b6cA-5x5gA:
15.56
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.
5zqe -

(-) 		no annotation 6 SER A  58
SER A 118
ARG A 257
LYS A 222
THR A 223
GLY A 224
 CES  A 301 (-1.3A)
CES  A 301 ( 3.7A)
CES  A 301 (-2.9A)
None
CES  A 301 (-3.6A)
CES  A 301 (-3.2A)
 0.66A 6b6cA-5zqeA:
21.8		 6b6cA-5zqeA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6bu3 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 8 SER A  70
SER A 130
PRO A 167
ASN A 170
LYS A 234
THR A 235
GLY A 236
GLY A 238
 3GK  A 301 ( 3.8A)
3GK  A 301 (-2.7A)
3GK  A 301 (-4.1A)
3GK  A 301 (-3.9A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.7A)
3GK  A 301 (-3.4A)
3GK  A 301 (-3.6A)
 0.45A 6b6cA-6bu3A:
41.4		 6b6cA-6bu3A:
33.75