SIMILAR PATTERNS OF AMINO ACIDS FOR 4N9K_B_CEDB301

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) 		8 ALA A  69
SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
ARG A 244
 None
 0.51A 4n9kB-1alqA:
24.3		 4n9kB-1alqA:
33.33
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) 		8 SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
ALA A 237
 None
 0.33A 4n9kB-1bsgA:
41.6		 4n9kB-1bsgA:
41.03
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 SER A  70
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
ARG A 220
 None
 0.87A 4n9kB-1bsgA:
41.6		 4n9kB-1bsgA:
41.03
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) 		7 SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 None
 0.52A 4n9kB-1bueA:
40.1		 4n9kB-1bueA:
41.54
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) 		7 SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 None
 0.56A 4n9kB-1dy6A:
40.2		 4n9kB-1dy6A:
43.43
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.
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		6 SER A  70
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
 SO4  A 500 (-3.1A)
SO4  A 500 (-2.6A)
None
SO4  A 500 (-3.2A)
SO4  A 500 (-3.8A)
SO4  A 500 (-3.5A)
 0.31A 4n9kB-1e25A:
31.1		 4n9kB-1e25A:
26.87
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) 		7 SER A  70
SER A 130
ASN A 132
ASN A 170
GLY A 236
ALA A 237
ARG A 244
 SO4  A 400 (-2.9A)
SO4  A 400 (-2.7A)
None
None
SO4  A 400 (-3.0A)
SO4  A 400 (-3.6A)
SO4  A 400 ( 4.6A)
 0.53A 4n9kB-1g68A:
38.2		 4n9kB-1g68A:
31.02
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 ALA A  69
SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 None
MES  A1000 (-3.1A)
MES  A1000 (-2.7A)
None
None
MES  A1000 (-2.9A)
MES  A1000 (-3.7A)
MES  A1000 (-3.1A)
 0.25A 4n9kB-1hzoA:
41.9		 4n9kB-1hzoA:
41.91
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 ALA A  69
SER A  70
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
TYR A 274
 None
MES  A1000 (-3.1A)
MES  A1000 (-2.7A)
None
MES  A1000 (-2.9A)
MES  A1000 (-3.7A)
MES  A1000 (-3.1A)
None
 0.84A 4n9kB-1hzoA:
41.9		 4n9kB-1hzoA:
41.91
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) 		11 ALA A  69
SER A  70
ASN A 104
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
ALA A 237
ARG A 244
TYR A 274
 CFX  A1300 (-3.5A)
CFX  A1300 (-1.3A)
CFX  A1300 (-3.9A)
CFX  A1300 (-3.1A)
CFX  A1300 (-3.0A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.6A)
CFX  A1300 (-3.3A)
CFX  A1300 (-3.4A)
CFX  A1300 (-3.5A)
None
 0.40A 4n9kB-1i2wA:
46.8		 4n9kB-1i2wA:
91.84
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.
1k38 BETA-LACTAMASE OXA-2

(Salmonella
enterica) 		PF00905
(Transpeptidase) 		7 ALA A  66
SER A  67
SER A 115
LYS A 205
THR A 206
GLY A 207
ARG A 244
 None
KCX  A  70 ( 2.7A)
FMT  A 401 (-2.4A)
FMT  A 401 ( 3.8A)
FMT  A 401 (-3.7A)
FMT  A 401 (-3.6A)
FMT  A 401 (-2.6A)
 0.62A 4n9kB-1k38A:
19.3		 4n9kB-1k38A:
24.22
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) 		8 SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
TYR A 272
 SO4  A1002 (-2.9A)
SO4  A1002 (-3.1A)
None
None
SO4  A1002 (-3.6A)
SO4  A1002 (-3.6A)
SO4  A1002 (-3.2A)
None
 0.77A 4n9kB-1n4oA:
39.1		 4n9kB-1n4oA:
35.36
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) 		9 SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
ALA A 237
ARG A 244
 EPE  A 400 (-3.7A)
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
EPE  A 400 (-4.0A)
MA4  A 310 ( 3.8A)
 0.69A 4n9kB-1n9bA:
34.8		 4n9kB-1n9bA:
37.86
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.
1nrf REGULATORY PROTEIN
BLAR1

(Bacillus
licheniformis) 		PF00905
(Transpeptidase) 		6 ALA A 401
SER A 402
SER A 450
LYS A 539
THR A 540
GLY A 541
 None
 0.44A 4n9kB-1nrfA:
19.5		 4n9kB-1nrfA:
24.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pio BETA-LACTAMASE

(Staphylococcus
aureus) 		PF13354
(Beta-lactamase2) 		8 ALA A  69
SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
ARG A 244
 None
 0.74A 4n9kB-1pioA:
40.4		 4n9kB-1pioA:
43.35
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.
1w5d PENICILLIN-BINDING
PROTEIN

(Bacillus
subtilis) 		PF02113
(Peptidase_S13) 		7 ALA A  51
SER A  52
SER A 299
ASN A 301
LYS A 411
THR A 412
GLY A 413
 None
 0.30A 4n9kB-1w5dA:
20.4		 4n9kB-1w5dA:
21.71
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) 		7 ALA A  55
SER A  56
SER A 119
ASN A 121
LYS A 239
THR A 240
GLY A 241
 None
SO4  A 464 (-3.4A)
SO4  A 464 (-3.4A)
None
SO4  A 464 (-3.5A)
SO4  A 464 (-4.0A)
SO4  A 464 ( 3.8A)
 0.40A 4n9kB-1xp4A:
21.2		 4n9kB-1xp4A:
24.23
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.
1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Streptococcus
pneumoniae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		7 ALA A  55
SER A  56
SER A 119
LYS A 239
THR A 240
GLY A 241
ARG A 278
 None
SO4  A 464 (-3.4A)
SO4  A 464 (-3.4A)
SO4  A 464 (-3.5A)
SO4  A 464 (-4.0A)
SO4  A 464 ( 3.8A)
SO4  A 464 ( 4.1A)
 1.02A 4n9kB-1xp4A:
21.2		 4n9kB-1xp4A:
24.23
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) 		8 SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
ALA A 237
ARG A 244
 None
 0.32A 4n9kB-1zg4A:
37.6		 4n9kB-1zg4A:
35.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c6w PENICILLIN-BINDING
PROTEIN 1A

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		6 SER B 370
SER B 428
ASN B 430
LYS B 557
THR B 558
GLY B 559
 CL  B 704 (-3.5A)
CL  B 704 (-3.4A)
None
None
CL  B 704 (-4.5A)
CL  B 704 ( 4.0A)
 0.63A 4n9kB-2c6wB:
16.6		 4n9kB-2c6wB:
23.56
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 SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 None
 0.29A 4n9kB-2cc1A:
39.4		 4n9kB-2cc1A:
39.26
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.
2exa PENICILLIN-BINDING
PROTEIN 4

(Escherichia
coli) 		PF02113
(Peptidase_S13) 		7 ALA A  61
SER A  62
SER A 306
ASN A 308
LYS A 417
THR A 418
GLY A 419
 DGF  A 501 (-3.6A)
DGF  A 501 (-1.3A)
DGF  A 501 (-3.3A)
DGF  A 501 (-3.0A)
None
None
DGF  A 501 (-3.4A)
 0.42A 4n9kB-2exaA:
17.6		 4n9kB-2exaA:
20.22
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.
2fff PENICILLIN-BINDING
PROTEIN 1B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		7 ALA B 459
SER B 460
SER B 516
ASN B 518
LYS B 651
THR B 652
GLY B 653
 None
 0.35A 4n9kB-2fffB:
16.5		 4n9kB-2fffB:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN

(Staphylococcus
aureus) 		PF00905
(Transpeptidase) 		6 SER A 391
SER A 439
ASN A 441
LYS A 528
THR A 529
GLY A 530
 GOL  A 604 ( 2.7A)
GOL  A 604 (-2.6A)
GOL  A 605 (-2.8A)
GOL  A 604 (-2.9A)
GOL  A 604 (-3.7A)
GOL  A 605 ( 3.2A)
 0.33A 4n9kB-2iwbA:
19.4		 4n9kB-2iwbA:
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.
2j7v TLL2115 PROTEIN

(Synechococcus
elongatus) 		PF13354
(Beta-lactamase2) 		7 ALA A  60
SER A  61
SER A 122
ASN A 124
LYS A 219
THR A 220
GLY A 221
 None
 0.43A 4n9kB-2j7vA:
32.3		 4n9kB-2j7vA:
25.97
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.
2jch PENICILLIN-BINDING
PROTEIN 1B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		7 ALA A 459
SER A 460
SER A 516
ASN A 518
LYS A 651
THR A 652
GLY A 653
 PL7  A1793 (-3.5A)
PL7  A1793 (-1.4A)
PL7  A1793 (-3.0A)
PL7  A1793 (-3.2A)
PL7  A1793 ( 4.1A)
PL7  A1793 (-3.9A)
PL7  A1793 (-3.3A)
 0.57A 4n9kB-2jchA:
5.1		 4n9kB-2jchA:
18.33
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.
2wae PENICILLIN-BINDING
PROTEIN 2B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		6 SER A 386
SER A 443
ASN A 445
LYS A 615
THR A 616
GLY A 617
 None
 0.45A 4n9kB-2waeA:
14.9		 4n9kB-2waeA:
18.74
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.
2wuq BETA-LACTAMASE
REGULATORY PROTEIN
BLAB

(Streptomyces
cacaoi) 		PF13354
(Beta-lactamase2) 		6 ALA A  46
SER A  47
SER A 109
LYS A 254
THR A 255
GLY A 256
 None
 0.30A 4n9kB-2wuqA:
30.2		 4n9kB-2wuqA:
24.77
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) 		8 SER A  70
ASN A 104
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 None
 0.51A 4n9kB-2wyxA:
41.4		 4n9kB-2wyxA:
41.60
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.
2zj9 AMPC

(Escherichia
coli) 		PF00144
(Beta-lactamase) 		6 SER A  64
ASN A 152
LYS A 315
THR A 316
GLY A 317
ALA A 318
 None
 0.50A 4n9kB-2zj9A:
5.1		 4n9kB-2zj9A:
23.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a3i PENICILLIN-BINDING
PROTEIN 4

(Haemophilus
influenzae) 		PF02113
(Peptidase_S13) 		7 ALA A  68
SER A  69
ASN A 312
LYS A 420
THR A 421
GLY A 422
TYR A 428
 AIX  A 501 (-3.6A)
AIX  A 501 (-1.3A)
AIX  A 501 (-3.3A)
AIX  A 501 ( 3.8A)
AIX  A 501 (-3.4A)
AIX  A 501 (-3.4A)
None
 0.87A 4n9kB-3a3iA:
21.0		 4n9kB-3a3iA:
21.23
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.
3a3i PENICILLIN-BINDING
PROTEIN 4

(Haemophilus
influenzae) 		PF02113
(Peptidase_S13) 		7 ALA A  68
SER A  69
SER A 310
ASN A 312
LYS A 420
THR A 421
GLY A 422
 AIX  A 501 (-3.6A)
AIX  A 501 (-1.3A)
AIX  A 501 (-2.8A)
AIX  A 501 (-3.3A)
AIX  A 501 ( 3.8A)
AIX  A 501 (-3.4A)
AIX  A 501 (-3.4A)
 0.23A 4n9kB-3a3iA:
21.0		 4n9kB-3a3iA:
21.23
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.
3a3j PBP5

(Haemophilus
influenzae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		6 ALA A  64
SER A  65
SER A 128
ASN A 130
THR A 232
GLY A 233
 None
None
SO4  A   1 ( 4.8A)
None
SO4  A   1 (-3.6A)
SO4  A   1 (-3.5A)
 0.63A 4n9kB-3a3jA:
22.3		 4n9kB-3a3jA:
26.16
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) 		9 SER A  70
ASN A 104
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
ALA A 237
 MER  A 301 (-1.3A)
MER  A 301 ( 4.1A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.5A)
MER  A 301 (-3.0A)
MER  A 301 (-4.2A)
 0.50A 4n9kB-3bfgA:
41.9		 4n9kB-3bfgA:
42.96
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 SER A  73
SER A 133
ASN A 135
ASN A 173
LYS A 237
THR A 238
GLY A 239
ALA A 240
 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)
SO4  A 301 (-3.6A)
 0.31A 4n9kB-3bydA:
41.8		 4n9kB-3bydA:
40.82
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.
3cjm PUTATIVE
BETA-LACTAMASE

(Enterococcus
faecalis) 		PF13354
(Beta-lactamase2) 		6 ALA A 107
SER A 108
SER A 169
ASN A 171
LYS A 257
GLY A 259
 None
NO3  A   1 (-2.9A)
None
NO3  A   1 ( 4.7A)
None
None
 0.32A 4n9kB-3cjmA:
26.7		 4n9kB-3cjmA:
28.85
Potential target for repurposing, i.e. matched protein structure has less than 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
ASN A 456
LYS A 583
THR A 584
GLY A 585
 SO4  A  26 (-2.7A)
SO4  A  26 (-3.1A)
None
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.6A)
SO4  A  26 (-3.3A)
 0.56A 4n9kB-3dwkA:
17.4		 4n9kB-3dwkA:
18.34
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) 		6 SER A  84
SER A 142
ASN A 186
LYS A 250
THR A 251
GLY A 252
 DWZ  A 400 (-1.3A)
DWZ  A 400 (-2.7A)
DWZ  A 400 ( 4.0A)
DWZ  A 400 ( 3.8A)
DWZ  A 400 (-3.5A)
DWZ  A 400 (-3.3A)
 0.20A 4n9kB-3dwzA:
41.7		 4n9kB-3dwzA:
45.22
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.
3hum PENICILLIN-BINDING
PROTEIN 4

(Staphylococcus
aureus) 		PF00768
(Peptidase_S11)
PF09211
(DUF1958) 		7 ALA A  74
SER A  75
SER A 139
LYS A 259
THR A 260
GLY A 261
ARG A 300
 CEW  A 501 ( 4.1A)
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)
CEW  A 501 ( 4.8A)
 1.04A 4n9kB-3humA:
22.9		 4n9kB-3humA:
20.61
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.
3hum PENICILLIN-BINDING
PROTEIN 4

(Staphylococcus
aureus) 		PF00768
(Peptidase_S11)
PF09211
(DUF1958) 		7 ALA A  74
SER A  75
SER A 139
LYS A 259
THR A 260
GLY A 261
TYR A 268
 CEW  A 501 ( 4.1A)
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)
None
 0.69A 4n9kB-3humA:
22.9		 4n9kB-3humA:
20.61
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.
3if6 OXA-46 OXACILLINASE

(Pseudomonas
aeruginosa) 		PF00905
(Transpeptidase) 		7 ALA C  71
SER C  72
SER C 120
LYS C 210
THR C 211
GLY C 212
ARG C 249
 None
KCX  C  75 ( 2.7A)
KCX  C  75 ( 3.5A)
KCX  C  75 ( 4.4A)
None
None
None
 0.61A 4n9kB-3if6C:
18.9		 4n9kB-3if6C:
22.82
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) 		10 SER A  85
SER A 143
ASN A 145
ASN A 183
LYS A 247
THR A 248
GLY A 249
ALA A 250
ARG A 256
TYR A 286
 EPE  A 305 (-3.4A)
EPE  A 305 (-2.5A)
None
None
EPE  A 305 (-3.1A)
EPE  A 305 (-3.6A)
EPE  A 305 (-3.4A)
EPE  A 305 ( 4.1A)
EPE  A 305 (-3.7A)
None
 0.45A 4n9kB-3lezA:
44.1		 4n9kB-3lezA:
56.34
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.
3mfd D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACB

(Bacillus
subtilis) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		7 ALA A  59
SER A  60
SER A 115
ASN A 117
LYS A 220
THR A 221
GLY A 222
 CIT  A   1 ( 4.5A)
CIT  A   1 (-2.5A)
CIT  A   1 (-2.8A)
None
CIT  A   1 ( 3.7A)
CIT  A   1 (-3.7A)
CIT  A   1 (-3.3A)
 0.30A 4n9kB-3mfdA:
22.7		 4n9kB-3mfdA:
23.70
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.
3p09 BETA-LACTAMASE

(Francisella
tularensis) 		PF13354
(Beta-lactamase2) 		6 SER A  61
SER A 122
ASN A 162
LYS A 226
THR A 227
GLY A 228
 SO4  A 288 (-3.1A)
SO4  A 288 (-2.7A)
None
SO4  A 288 (-3.5A)
SO4  A 288 (-3.6A)
SO4  A 288 (-3.3A)
 0.27A 4n9kB-3p09A:
39.1		 4n9kB-3p09A:
28.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q7z BETA-LACTAMASE
REGULATORY PROTEIN
BLAR1

(Staphylococcus
aureus) 		PF00905
(Transpeptidase) 		6 SER A 389
SER A 437
ASN A 439
LYS A 526
THR A 527
GLY A 528
 BOU  A 584 (-1.4A)
BOU  A 584 (-2.8A)
BOU  A 584 (-3.5A)
BOU  A 584 (-3.3A)
BOU  A 584 (-3.6A)
BOU  A 584 (-3.7A)
 0.29A 4n9kB-3q7zA:
18.6		 4n9kB-3q7zA:
22.73
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) 		10 ALA A  69
SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
ALA A 237
ARG A 244
TYR A 274
 None
 0.38A 4n9kB-3qhyA:
43.7		 4n9kB-3qhyA:
58.05
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.
3qnb OXACILLINASE

(Escherichia
coli) 		PF00905
(Transpeptidase) 		7 ALA A  66
SER A  67
SER A 115
LYS A 205
THR A 206
GLY A 207
ARG A 250
 None
KCX  A  70 ( 2.7A)
KCX  A  70 ( 4.6A)
KCX  A  70 ( 4.7A)
SO4  A   4 (-2.9A)
None
SO4  A   4 (-3.4A)
 0.65A 4n9kB-3qnbA:
19.2		 4n9kB-3qnbA:
22.74
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.
3rju BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE

(Yersinia pestis) 		PF00144
(Beta-lactamase) 		6 ALA A  58
SER A  59
ASN A 158
LYS A 299
THR A 300
GLY A 301
 CIT  A 391 ( 4.1A)
CIT  A 391 (-2.5A)
CIT  A 391 ( 4.7A)
CIT  A 391 ( 4.4A)
CIT  A 391 (-3.4A)
CIT  A 391 (-3.3A)
 0.22A 4n9kB-3rjuA:
4.8		 4n9kB-3rjuA:
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.
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
ASN A 392
LYS A 525
THR A 526
GLY A 527
 None
 0.57A 4n9kB-3ue3A:
16.7		 4n9kB-3ue3A:
20.15
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.
3upn PENICILLIN-BINDING
PROTEIN A

(Mycobacterium
tuberculosis) 		PF00905
(Transpeptidase) 		6 SER A 222
SER A 281
ASN A 283
LYS A 424
THR A 425
GLY A 426
 IM2  A 800 (-1.3A)
IM2  A 800 (-3.0A)
IM2  A 800 (-3.3A)
IM2  A 800 ( 3.9A)
IM2  A 800 (-3.5A)
IM2  A 800 (-3.4A)
 0.55A 4n9kB-3upnA:
17.5		 4n9kB-3upnA:
22.15
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.
3v39 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Bdellovibrio
bacteriovorus) 		PF02113
(Peptidase_S13) 		7 ALA A  69
SER A  70
SER A 251
ASN A 253
LYS A 357
THR A 358
GLY A 359
 TAU  A 501 (-3.4A)
TAU  A 501 (-1.5A)
TAU  A 501 (-2.6A)
TAU  A 501 (-3.1A)
TAU  A 501 ( 4.3A)
None
TAU  A 501 (-3.5A)
 0.35A 4n9kB-3v39A:
18.1		 4n9kB-3v39A:
22.67
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) 		7 SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 None
 0.25A 4n9kB-3w4qA:
21.3		 4n9kB-3w4qA:
45.86
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) 		7 SER A  70
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
ARG A 220
 None
 0.98A 4n9kB-3w4qA:
21.3		 4n9kB-3w4qA:
45.86
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) 		9 SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
ALA A 237
ARG A 244
 SO4  A1291 (-3.4A)
SO4  A1291 (-3.1A)
None
None
SO4  A1291 (-3.3A)
SO4  A1291 (-3.6A)
SO4  A1291 (-3.3A)
SO4  A1291 (-3.9A)
SO4  A1291 ( 3.6A)
 0.36A 4n9kB-3zdjA:
38.1		 4n9kB-3zdjA:
38.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zg8 PENICILLIN-BINDING
PROTEIN 4

(Listeria
monocytogenes) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		6 SER B 394
SER B 449
ASN B 451
LYS B 575
THR B 576
GLY B 577
 AIX  B 800 (-0.2A)
AIX  B 800 (-2.4A)
AIX  B 800 (-2.7A)
AIX  B 800 ( 4.0A)
AIX  B 800 (-3.4A)
AIX  B 800 ( 3.7A)
 0.35A 4n9kB-3zg8B:
16.7		 4n9kB-3zg8B:
20.33
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) 		7 SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 None
 0.34A 4n9kB-3znyA:
41.8		 4n9kB-3znyA:
41.51
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.
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp. R39) 		PF02113
(Peptidase_S13) 		7 ALA A  48
SER A  49
SER A 298
ASN A 300
LYS A 410
THR A 411
GLY A 412
 B07  A 500 (-3.8A)
B07  A 500 (-1.4A)
B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 (-1.6A)
B07  A 500 (-4.8A)
B07  A 500 (-3.2A)
 0.56A 4n9kB-3zvtA:
20.5		 4n9kB-3zvtA:
22.12
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 SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 PEG  A 307 (-2.4A)
PEG  A 307 (-2.4A)
PEG  A 307 (-3.1A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-3.0A)
PEG  A 307 (-2.7A)
 0.42A 4n9kB-4c6yA:
40.7		 4n9kB-4c6yA:
47.92
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 SER A  70
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
ARG A 220
 PEG  A 307 (-2.4A)
PEG  A 307 (-2.4A)
PEG  A 307 (-3.1A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-3.0A)
PEG  A 307 (-2.7A)
PEG  A 307 ( 3.6A)
 1.01A 4n9kB-4c6yA:
40.7		 4n9kB-4c6yA:
47.92
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) 		8 SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
ARG A 244
 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 (-4.1A)
 0.26A 4n9kB-4c75A:
41.1		 4n9kB-4c75A:
56.23
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.
4d2o PER-2 BETA-LACTAMASE

(Citrobacter
freundii) 		PF13354
(Beta-lactamase2) 		6 SER A  70
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
 None
 0.50A 4n9kB-4d2oA:
30.6		 4n9kB-4d2oA:
28.04
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) 		7 SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 MER  A 401 (-1.3A)
MER  A 401 (-2.8A)
MER  A 401 (-3.2A)
MER  A 401 (-2.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.5A)
MER  A 401 (-3.6A)
 0.43A 4n9kB-4ev4A:
40.9		 4n9kB-4ev4A:
43.37
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.
4ewf BETA-LACTAMASE

(Sphaerobacter
thermophilus) 		PF13354
(Beta-lactamase2) 		7 ALA A  48
SER A  49
SER A 110
ASN A 112
LYS A 213
THR A 214
GLY A 215
 None
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)
 0.33A 4n9kB-4ewfA:
31.1		 4n9kB-4ewfA:
25.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ewf BETA-LACTAMASE

(Sphaerobacter
thermophilus) 		PF13354
(Beta-lactamase2) 		7 ALA A  48
SER A  49
SER A 110
LYS A 213
THR A 214
GLY A 215
ARG A 197
 None
SO4  A 301 (-3.1A)
SO4  A 301 (-3.1A)
SO4  A 301 (-3.0A)
SO4  A 301 (-3.8A)
SO4  A 301 (-3.5A)
SO4  A 301 ( 3.7A)
 0.96A 4n9kB-4ewfA:
31.1		 4n9kB-4ewfA:
25.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hes BETA-LACTAMASE CLASS
A-LIKE PROTEIN

(Veillonella
parvula) 		PF13354
(Beta-lactamase2) 		7 ALA A  55
SER A  56
SER A 117
ASN A 119
LYS A 217
THR A 218
GLY A 219
 None
GOL  A 301 (-3.0A)
GOL  A 301 (-2.7A)
None
GOL  A 301 ( 4.6A)
GOL  A 301 (-3.7A)
GOL  A 301 (-3.5A)
 0.39A 4n9kB-4hesA:
28.1		 4n9kB-4hesA:
24.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ied CLASS D
BETA-LACTAMASE

(Fusobacterium
nucleatum) 		PF00905
(Transpeptidase) 		7 ALA A  56
SER A  57
SER A 106
LYS A 196
THR A 197
GLY A 198
ARG A 239
 None
KCX  A  60 ( 2.7A)
KCX  A  60 ( 3.4A)
KCX  A  60 ( 4.5A)
None
None
None
 0.62A 4n9kB-4iedA:
19.7		 4n9kB-4iedA:
25.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k0x BETA-LACTAMASE

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase) 		7 ALA A  78
SER A  79
SER A 126
LYS A 216
THR A 217
GLY A 218
ARG A 259
 None
KCX  A  82 (-2.5A)
BCT  A 301 (-2.8A)
BCT  A 301 (-3.0A)
BCT  A 301 (-3.5A)
BCT  A 301 (-3.4A)
BCT  A 301 (-3.0A)
 0.53A 4n9kB-4k0xA:
19.3		 4n9kB-4k0xA:
25.26
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.
4mnr PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Eggerthella
lenta) 		PF00905
(Transpeptidase) 		6 SER A 182
SER A 237
ASN A 239
LYS A 397
THR A 398
GLY A 399
 None
 0.52A 4n9kB-4mnrA:
16.5		 4n9kB-4mnrA:
23.23
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.
4oh0 BETA-LACTAMASE
OXA-58

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase) 		6 ALA A  82
SER A  83
SER A 130
LYS A 220
GLY A 222
ARG A 263
 None
KCX  A  86 ( 2.6A)
KCX  A  86 ( 3.3A)
CL  A 301 ( 4.4A)
CL  A 301 (-3.6A)
CL  A 301 (-3.7A)
 0.46A 4n9kB-4oh0A:
18.5		 4n9kB-4oh0A:
22.48
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.
4ovd PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Atopobium
parvulum) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		6 SER A 305
SER A 361
ASN A 363
LYS A 500
THR A 501
GLY A 502
 CA  A 601 (-3.4A)
CA  A 601 ( 3.8A)
None
CA  A 601 ( 4.1A)
CA  A 601 (-4.0A)
CA  A 601 ( 4.2A)
 0.60A 4n9kB-4ovdA:
17.3		 4n9kB-4ovdA:
21.63
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.
4ppr PENICILLIN-BINDING
PROTEIN DACB1

(Mycobacterium
tuberculosis) 		PF00768
(Peptidase_S11) 		7 ALA A 120
SER A 121
SER A 176
ASN A 178
LYS A 282
THR A 283
GLY A 284
 MER  A 400 (-3.5A)
MER  A 400 (-1.3A)
MER  A 400 (-2.5A)
MER  A 400 (-3.0A)
MER  A 400 (-3.0A)
MER  A 400 (-3.6A)
MER  A 400 (-3.1A)
 0.34A 4n9kB-4pprA:
20.6		 4n9kB-4pprA:
24.01
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.
4ra7 PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Atopobium
parvulum) 		PF00905
(Transpeptidase) 		6 SER A 682
SER A 737
ASN A 739
LYS A 890
THR A 891
GLY A 892
 NXU  A1001 (-1.3A)
NXU  A1001 (-3.2A)
NXU  A1001 (-3.5A)
NXU  A1001 (-3.5A)
NXU  A1001 (-3.3A)
NXU  A1001 (-3.4A)
 0.36A 4n9kB-4ra7A:
16.2		 4n9kB-4ra7A:
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.
4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Mycobacterium
tuberculosis) 		PF00768
(Peptidase_S11) 		7 ALA A  68
SER A  69
SER A 124
ASN A 126
LYS A 230
THR A 231
GLY A 232
 None
 0.33A 4n9kB-4ryeA:
22.3		 4n9kB-4ryeA:
26.19
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 SER A  71
SER A 131
ASN A 133
ASN A 171
LYS A 233
THR A 234
GLY A 235
 ACT  A 301 (-3.5A)
ACT  A 301 (-2.9A)
None
None
ACT  A 301 (-3.4A)
ACT  A 301 (-3.5A)
ACT  A 301 (-3.3A)
 0.29A 4n9kB-4yfmA:
40.9		 4n9kB-4yfmA:
46.30
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.
4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2

(Legionella
pneumophila) 		PF00905
(Transpeptidase) 		6 SER A 400
SER A 454
ASN A 456
LYS A 568
THR A 569
GLY A 570
 NHE  A 901 (-3.2A)
NHE  A 901 (-2.9A)
None
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
NHE  A 901 (-3.6A)
 0.30A 4n9kB-4ztkA:
16.1		 4n9kB-4ztkA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aqa OFF7_DB04V3

(synthetic
construct) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13354
(Beta-lactamase2) 		8 SER A 200
SER A 260
ASN A 262
ASN A 300
LYS A 364
GLY A 366
ALA A 367
ARG A 373
 None
 0.46A 4n9kB-5aqaA:
37.1		 4n9kB-5aqaA:
26.42
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.
5boh BETA-LACTAMASE

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase) 		6 ALA A  82
SER A  83
SER A 130
LYS A 220
GLY A 222
ARG A 263
 None
KCX  A  86 ( 2.7A)
KCX  A  86 ( 3.5A)
KCX  A  86 ( 4.5A)
None
None
 0.49A 4n9kB-5bohA:
18.7		 4n9kB-5bohA:
23.26
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.
5cer BD0816

(Bdellovibrio
bacteriovorus) 		PF02113
(Peptidase_S13) 		6 ALA A  57
SER A 239
ASN A 241
LYS A 345
THR A 346
GLY A 347
 None
 0.33A 4n9kB-5cerA:
18.7		 4n9kB-5cerA:
21.30
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.
5cxw PENICILLIN-BINDING
PROTEIN 1A

(Mycobacterium
tuberculosis) 		PF00905
(Transpeptidase) 		6 SER A 345
SER A 398
ASN A 400
LYS A 539
THR A 540
GLY A 541
 35P  A 702 (-1.3A)
35P  A 702 (-2.9A)
35P  A 702 (-3.1A)
35P  A 702 (-3.3A)
35P  A 702 (-3.5A)
35P  A 702 (-3.5A)
 0.39A 4n9kB-5cxwA:
17.4		 4n9kB-5cxwA:
22.33
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) 		7 SER A  47
SER A 107
ASN A 109
ASN A 147
LYS A 211
THR A 212
GLY A 213
 None
 0.34A 4n9kB-5e2eA:
41.8		 4n9kB-5e2eA:
40.07
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) 		7 SER A  70
SER A 131
ASN A 133
ASN A 171
LYS A 235
THR A 236
GLY A 237
 ACT  A 311 (-3.2A)
ACT  A 311 (-3.0A)
None
None
ACT  A 311 (-3.3A)
ACT  A 311 (-3.7A)
ACT  A 311 (-3.2A)
 0.27A 4n9kB-5e43A:
42.0		 4n9kB-5e43A:
37.46
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) 		7 SER A  62
SER A 123
ASN A 125
ASN A 163
LYS A 227
THR A 228
GLY A 229
 CIT  A 303 (-2.8A)
CIT  A 303 (-2.5A)
CIT  A 303 (-3.2A)
None
CIT  A 303 (-3.5A)
CIT  A 303 (-3.6A)
CIT  A 303 (-3.5A)
 0.23A 4n9kB-5eoeA:
39.4		 4n9kB-5eoeA:
36.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5f83 BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		7 SER A  64
SER A 125
ASN A 127
LYS A 229
THR A 230
GLY A 231
ARG A 238
 IM2  A 301 (-1.4A)
IM2  A 301 (-2.7A)
IM2  A 301 (-3.2A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.6A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.5A)
 0.26A 4n9kB-5f83A:
38.3		 4n9kB-5f83A:
34.18
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) 		7 SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 None
 0.25A 4n9kB-5gl9A:
41.7		 4n9kB-5gl9A:
43.54
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.
5hlb PENICILLIN-BINDING
PROTEIN 1B

(Escherichia
coli) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF14814
(UB2H) 		6 SER A 510
SER A 572
ASN A 574
LYS A 698
THR A 699
GLY A 700
 AZR  A 902 (-1.4A)
AZR  A 902 ( 3.7A)
AZR  A 902 (-3.4A)
AZR  A 902 ( 4.5A)
AZR  A 902 (-3.5A)
AZR  A 902 (-3.3A)
 0.42A 4n9kB-5hlbA:
17.7		 4n9kB-5hlbA:
17.73
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.
5kzh BETA-LACTAMASE

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase) 		6 ALA A  79
SER A  80
SER A 127
LYS A 217
GLY A 219
ARG A 260
 FMT  A 301 (-3.2A)
FMT  A 301 (-2.5A)
FMT  A 301 (-3.3A)
KCX  A  83 ( 4.9A)
FMT  A 301 (-3.3A)
None
 0.61A 4n9kB-5kzhA:
19.7		 4n9kB-5kzhA:
23.51
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.
5ll7 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 7 SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 6YV  A 301 (-1.7A)
6YV  A 301 (-2.6A)
6YV  A 301 (-3.7A)
6YV  A 301 (-2.9A)
6YV  A 301 (-3.6A)
6YV  A 301 (-3.6A)
6YV  A 301 ( 4.0A)
 0.48A 4n9kB-5ll7A:
42.0		 4n9kB-5ll7A:
17.57
Potential target for repurposing, i.e. matched protein structure has less than 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) 		6 SER A  48
SER A 112
ASN A 114
LYS A 215
THR A 216
GLY A 217
 PO4  A 301 (-3.8A)
PO4  A 301 (-2.6A)
None
PO4  A 301 (-3.2A)
PO4  A 301 ( 3.6A)
PO4  A 301 (-3.3A)
 0.25A 4n9kB-5tfqA:
31.6		 4n9kB-5tfqA:
25.43
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.
5tr7 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Vibrio cholerae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		7 ALA A  65
SER A  66
SER A 129
ASN A 131
LYS A 232
THR A 233
GLY A 234
 None
 0.68A 4n9kB-5tr7A:
22.4		 4n9kB-5tr7A:
23.14
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.
5tro PENICILLIN-BINDING
PROTEIN 1

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		6 SER A 314
SER A 368
ASN A 370
LYS A 513
THR A 514
GLY A 515
 None
 0.37A 4n9kB-5troA:
17.2		 4n9kB-5troA:
19.30
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.
5ty7 PENICILLIN-BINDING
PROTEIN 4

(Staphylococcus
aureus) 		no annotation 7 ALA A  74
SER A  75
SER A 139
LYS A 259
THR A 260
GLY A 261
TYR A 268
 NFF  A 401 ( 3.7A)
NFF  A 401 (-1.1A)
NFF  A 401 (-3.4A)
NFF  A 401 ( 4.8A)
NFF  A 401 (-3.9A)
NFF  A 401 (-3.7A)
None
 0.74A 4n9kB-5ty7A:
21.0		 4n9kB-5ty7A:
17.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vfd BETA-LACTAMASE

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase) 		6 ALA A  80
SER A  81
SER A 128
LYS A 218
GLY A 220
ARG A 261
 9CP  A 306 (-3.3A)
9CP  A 306 (-1.4A)
9CP  A 306 (-2.8A)
9CP  A 306 (-3.0A)
9CP  A 306 (-3.5A)
9CP  A 306 (-2.7A)
 0.58A 4n9kB-5vfdA:
19.2		 4n9kB-5vfdA:
23.21
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 SER A  58
SER A 119
ASN A 121
ASN A 159
THR A 226
GLY A 227
ARG A 210
 None
 1.16A 4n9kB-5vpqA:
40.0		 4n9kB-5vpqA:
37.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x5g BETA-LACTAMASE

(Serratia
marcescens) 		PF13354
(Beta-lactamase2) 		7 SER A  56
SER A 120
ASN A 122
LYS A 224
THR A 225
GLY A 226
ARG A 210
 OP0  A 305 (-1.5A)
OP0  A 305 (-2.7A)
OP0  A 305 (-3.1A)
OP0  A 305 (-3.4A)
OP0  A 305 (-3.7A)
OP0  A 305 (-3.2A)
OP0  A 305 (-3.6A)
 1.01A 4n9kB-5x5gA:
32.9		 4n9kB-5x5gA:
25.70
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.
5zqe -

(-) 		no annotation 7 ALA A  57
SER A  58
ASN A 120
LYS A 222
THR A 223
GLY A 224
TYR A 231
 CES  A 301 (-3.5A)
CES  A 301 (-1.3A)
CES  A 301 (-3.3A)
None
CES  A 301 (-3.6A)
CES  A 301 (-3.2A)
None
 0.72A 4n9kB-5zqeA:
22.6		 4n9kB-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.
5zqe -

(-) 		no annotation 7 ALA A  57
SER A  58
SER A 118
ASN A 120
LYS A 222
THR A 223
GLY A 224
 CES  A 301 (-3.5A)
CES  A 301 (-1.3A)
CES  A 301 ( 3.7A)
CES  A 301 (-3.3A)
None
CES  A 301 (-3.6A)
CES  A 301 (-3.2A)
 0.32A 4n9kB-5zqeA:
22.6		 4n9kB-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.
5zqe -

(-) 		no annotation 7 SER A  58
ASN A 120
LYS A 222
THR A 223
GLY A 224
ARG A 257
TYR A 231
 CES  A 301 (-1.3A)
CES  A 301 (-3.3A)
None
CES  A 301 (-3.6A)
CES  A 301 (-3.2A)
CES  A 301 (-2.9A)
None
 1.00A 4n9kB-5zqeA:
22.6		 4n9kB-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.
5zqe -

(-) 		no annotation 7 SER A  58
SER A 118
ASN A 120
LYS A 222
THR A 223
GLY A 224
ARG A 257
 CES  A 301 (-1.3A)
CES  A 301 ( 3.7A)
CES  A 301 (-3.3A)
None
CES  A 301 (-3.6A)
CES  A 301 (-3.2A)
CES  A 301 (-2.9A)
 0.84A 4n9kB-5zqeA:
22.6		 4n9kB-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.
6azi D-ALANYL-D-ALANINE
ENDOPEPTIDASE

(Enterobacter
cloacae) 		PF00768
(Peptidase_S11) 		6 ALA A  67
SER A 125
ASN A 127
LYS A 232
THR A 233
GLY A 234
 SEE  A  68 ( 2.7A)
SEE  A  68 ( 1.4A)
SEE  A  68 ( 3.6A)
SEE  A  68 ( 3.5A)
None
SEE  A  68 ( 3.9A)
 0.33A 4n9kB-6aziA:
21.9		 4n9kB-6aziA:
24.76
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.
6bu3 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 8 SER A  70
ASN A 104
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 3GK  A 301 ( 3.8A)
3GK  A 301 ( 3.2A)
3GK  A 301 (-2.7A)
3GK  A 301 (-3.5A)
3GK  A 301 (-3.9A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.7A)
3GK  A 301 (-3.4A)
 0.39A 4n9kB-6bu3A:
41.9		 4n9kB-6bu3A:
16.17