SIMILAR PATTERNS OF AMINO ACIDS FOR 3SH8_B_CEDB1

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
LYS A  73
SER A 130
ASN A 132
LYS A 234
GLY A 236
ARG A 244
 None
 0.56A 3sh8B-1alqA:
28.4		 3sh8B-1alqA:
32.90
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
LYS A  73
SER A 130
ASN A 132
LYS A 234
GLY A 236
ALA A 237
 None
 0.29A 3sh8B-1bsgA:
39.9		 3sh8B-1bsgA:
41.33
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) 		7 SER A  70
LYS A  73
SER A 130
ASN A 132
LYS A 234
GLY A 236
ARG A 220
 None
 0.80A 3sh8B-1bsgA:
39.9		 3sh8B-1bsgA:
41.33
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) 		6 SER A  70
LYS A  73
SER A 130
ASN A 132
LYS A 234
GLY A 236
 None
 0.58A 3sh8B-1bueA:
38.6		 3sh8B-1bueA:
41.85
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) 		6 SER A  70
LYS A  73
SER A 130
ASN A 132
LYS A 234
GLY A 236
 None
 0.59A 3sh8B-1dy6A:
38.5		 3sh8B-1dy6A:
43.91
Potential target for repurposing, i.e. matched protein structure has less than 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
LYS A  73
SER A 130
ASN A 132
LYS A 234
GLY A 236
 SO4  A 500 (-3.1A)
None
SO4  A 500 (-2.6A)
None
SO4  A 500 (-3.2A)
SO4  A 500 (-3.5A)
 0.33A 3sh8B-1e25A:
30.8		 3sh8B-1e25A:
26.30
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
LYS A  73
SER A 130
ASN A 132
GLY A 236
ALA A 237
ARG A 244
 SO4  A 400 (-2.9A)
SO4  A 400 ( 4.7A)
SO4  A 400 (-2.7A)
None
SO4  A 400 (-3.0A)
SO4  A 400 (-3.6A)
SO4  A 400 ( 4.6A)
 0.60A 3sh8B-1g68A:
36.4		 3sh8B-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
LYS A  73
SER A 130
ASN A 132
LYS A 234
GLY A 236
TYR A 274
 None
MES  A1000 (-3.1A)
None
MES  A1000 (-2.7A)
None
MES  A1000 (-2.9A)
MES  A1000 (-3.1A)
None
 0.85A 3sh8B-1hzoA:
40.0		 3sh8B-1hzoA:
42.80
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
LYS A  73
ASN A 104
SER A 130
ASN A 132
LYS A 234
GLY A 236
ALA A 237
ARG A 244
TYR A 274
 CFX  A1300 (-3.5A)
CFX  A1300 (-1.3A)
CFX  A1300 (-2.6A)
CFX  A1300 (-3.9A)
CFX  A1300 (-3.1A)
CFX  A1300 (-3.0A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.3A)
CFX  A1300 (-3.4A)
CFX  A1300 (-3.5A)
None
 0.42A 3sh8B-1i2wA:
44.9		 3sh8B-1i2wA:
91.13
Potential target for repurposing, i.e. matched protein structure has less than 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 ALA A  66
SER A  67
SER A 115
LYS A 205
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 (-3.6A)
FMT  A 401 (-2.6A)
 0.63A 3sh8B-1k38A:
19.5		 3sh8B-1k38A:
24.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1n4o L2 BETA-LACTAMASE

(Stenotrophomonas
maltophilia) 		PF13354
(Beta-lactamase2) 		7 SER A  70
LYS A  73
SER A 130
ASN A 132
LYS A 234
GLY A 236
TYR A 272
 SO4  A1002 (-2.9A)
SO4  A1002 ( 4.9A)
SO4  A1002 (-3.1A)
None
SO4  A1002 (-3.6A)
SO4  A1002 (-3.2A)
None
 0.64A 3sh8B-1n4oA:
37.5		 3sh8B-1n4oA:
35.71
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) 		7 SER A  70
LYS A  73
ASN A 132
LYS A 234
GLY A 236
ALA A 237
ARG A 244
 EPE  A 400 (-3.7A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.1A)
EPE  A 400 (-4.0A)
MA4  A 310 ( 3.8A)
 0.62A 3sh8B-1n9bA:
33.2		 3sh8B-1n9bA:
37.41
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) 		7 SER A  70
SER A 130
ASN A 132
LYS A 234
GLY A 236
ALA A 237
ARG A 244
 EPE  A 400 (-3.7A)
EPE  A 400 (-2.5A)
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.1A)
EPE  A 400 (-4.0A)
MA4  A 310 ( 3.8A)
 0.70A 3sh8B-1n9bA:
33.2		 3sh8B-1n9bA:
37.41
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
LYS A  73
SER A 130
ASN A 132
LYS A 234
GLY A 236
ARG A 244
 None
 0.78A 3sh8B-1pioA:
38.6		 3sh8B-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
LYS A  55
SER A 299
ASN A 301
LYS A 411
GLY A 413
 None
 0.41A 3sh8B-1w5dA:
20.2		 3sh8B-1w5dA:
21.98
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.
1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Streptococcus
pneumoniae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		7 ALA A  55
SER A  56
LYS A  59
SER A 119
ASN A 121
LYS A 239
GLY A 241
 None
SO4  A 464 (-3.4A)
None
SO4  A 464 (-3.4A)
None
SO4  A 464 (-3.5A)
SO4  A 464 ( 3.8A)
 0.44A 3sh8B-1xp4A:
21.2		 3sh8B-1xp4A:
24.04
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.
1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Streptococcus
pneumoniae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		7 ALA A  55
SER A  56
LYS A  59
SER A 119
LYS A 239
GLY A 241
ARG A 278
 None
SO4  A 464 (-3.4A)
None
SO4  A 464 (-3.4A)
SO4  A 464 (-3.5A)
SO4  A 464 ( 3.8A)
SO4  A 464 ( 4.1A)
 1.05A 3sh8B-1xp4A:
21.2		 3sh8B-1xp4A:
24.04
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
LYS A  73
SER A 130
ASN A 132
LYS A 234
GLY A 236
ALA A 237
ARG A 244
 None
 0.37A 3sh8B-1zg4A:
35.9		 3sh8B-1zg4A:
35.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2cc1 BETA-LACTAMASE

(Mycolicibacterium
fortuitum) 		PF13354
(Beta-lactamase2) 		6 SER A  70
LYS A  73
SER A 130
ASN A 132
LYS A 234
GLY A 236
 None
 0.27A 3sh8B-2cc1A:
37.4		 3sh8B-2cc1A:
39.18
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.
2exa PENICILLIN-BINDING
PROTEIN 4

(Escherichia
coli) 		PF02113
(Peptidase_S13) 		7 ALA A  61
SER A  62
LYS A  65
SER A 306
ASN A 308
LYS A 417
GLY A 419
 DGF  A 501 (-3.6A)
DGF  A 501 (-1.3A)
DGF  A 501 ( 4.0A)
DGF  A 501 (-3.3A)
DGF  A 501 (-3.0A)
None
DGF  A 501 (-3.4A)
 0.45A 3sh8B-2exaA:
17.5		 3sh8B-2exaA:
20.43
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.
2fff PENICILLIN-BINDING
PROTEIN 1B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		7 ALA B 459
SER B 460
LYS B 463
SER B 516
ASN B 518
LYS B 651
GLY B 653
 None
 0.39A 3sh8B-2fffB:
16.4		 3sh8B-2fffB:
23.78
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.
2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN

(Staphylococcus
aureus) 		PF00905
(Transpeptidase) 		6 SER A 391
LYS A 394
SER A 439
ASN A 441
LYS A 528
GLY A 530
 GOL  A 604 ( 2.7A)
GOL  A 605 ( 3.9A)
GOL  A 604 (-2.6A)
GOL  A 605 (-2.8A)
GOL  A 604 (-2.9A)
GOL  A 605 ( 3.2A)
 0.50A 3sh8B-2iwbA:
19.7		 3sh8B-2iwbA:
24.05
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.
2j7v TLL2115 PROTEIN

(Synechococcus
elongatus) 		PF13354
(Beta-lactamase2) 		7 ALA A  60
SER A  61
LYS A  64
SER A 122
ASN A 124
LYS A 219
GLY A 221
 None
 0.39A 3sh8B-2j7vA:
31.4		 3sh8B-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
LYS A 463
SER A 516
ASN A 518
LYS A 651
GLY A 653
 PL7  A1793 (-3.5A)
PL7  A1793 (-1.4A)
PL7  A1793 ( 4.0A)
PL7  A1793 (-3.0A)
PL7  A1793 (-3.2A)
PL7  A1793 ( 4.1A)
PL7  A1793 (-3.3A)
 0.60A 3sh8B-2jchA:
15.3		 3sh8B-2jchA:
18.19
Potential target for repurposing, i.e. matched protein structure has less than 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
LYS A 389
SER A 443
ASN A 445
LYS A 615
GLY A 617
 None
 0.55A 3sh8B-2waeA:
15.2		 3sh8B-2waeA:
18.48
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.
2wuq BETA-LACTAMASE
REGULATORY PROTEIN
BLAB

(Streptomyces
cacaoi) 		PF13354
(Beta-lactamase2) 		6 ALA A  46
SER A  47
LYS A  50
SER A 109
LYS A 254
GLY A 256
 None
 0.40A 3sh8B-2wuqA:
29.6		 3sh8B-2wuqA:
23.38
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.
2wuq BETA-LACTAMASE
REGULATORY PROTEIN
BLAB

(Streptomyces
cacaoi) 		PF13354
(Beta-lactamase2) 		6 SER A  47
LYS A  50
SER A 109
LYS A 254
GLY A 256
ARG A 239
 None
 1.04A 3sh8B-2wuqA:
29.6		 3sh8B-2wuqA:
23.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wyx BETA-LACTAMSE TOHO-1

(Escherichia
coli) 		PF13354
(Beta-lactamase2) 		7 SER A  70
LYS A  73
ASN A 104
SER A 130
ASN A 132
LYS A 234
GLY A 236
 None
 0.39A 3sh8B-2wyxA:
39.6		 3sh8B-2wyxA:
41.54
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.
2z2m PENICILLIN-BINDING
PROTEIN 2X

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		6 SER B 337
LYS B 340
SER B 395
ASN B 397
LYS B 547
GLY B 549
 CDS  B 901 ( 1.3A)
CDS  B 901 ( 4.2A)
CDS  B 901 ( 3.2A)
CDS  B 901 ( 3.0A)
CDS  B 901 ( 3.9A)
CDS  B 901 ( 3.4A)
 0.30A 3sh8B-2z2mB:
16.8		 3sh8B-2z2mB:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zj9 AMPC

(Escherichia
coli) 		PF00144
(Beta-lactamase) 		6 SER A  64
LYS A  67
ASN A 152
LYS A 315
GLY A 317
ALA A 318
 None
 0.60A 3sh8B-2zj9A:
14.1		 3sh8B-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
LYS A  72
SER A 310
ASN A 312
LYS A 420
GLY A 422
 AIX  A 501 (-3.6A)
AIX  A 501 (-1.3A)
AIX  A 501 ( 4.0A)
AIX  A 501 (-2.8A)
AIX  A 501 (-3.3A)
AIX  A 501 ( 3.8A)
AIX  A 501 (-3.4A)
 0.29A 3sh8B-3a3iA:
21.0		 3sh8B-3a3iA:
21.23
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) 		8 SER A  70
LYS A  73
ASN A 104
SER A 130
ASN A 132
LYS A 234
GLY A 236
ALA A 237
 MER  A 301 (-1.3A)
MER  A 301 ( 3.8A)
MER  A 301 ( 4.1A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.2A)
MER  A 301 (-3.0A)
MER  A 301 (-4.2A)
 0.55A 3sh8B-3bfgA:
40.0		 3sh8B-3bfgA:
43.28
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) 		7 SER A  73
LYS A  76
SER A 133
ASN A 135
LYS A 237
GLY A 239
ALA A 240
 SO4  A 301 (-2.9A)
SO4  A 301 ( 4.9A)
SO4  A 301 (-2.8A)
None
SO4  A 301 (-3.1A)
SO4  A 301 (-3.3A)
SO4  A 301 (-3.6A)
 0.23A 3sh8B-3bydA:
40.0		 3sh8B-3bydA:
41.20
Potential target for repurposing, i.e. matched protein structure has less than 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) 		7 ALA A 107
SER A 108
LYS A 111
SER A 169
ASN A 171
GLY A 259
ARG A 244
 None
NO3  A   1 (-2.9A)
NO3  A   1 (-3.5A)
None
NO3  A   1 ( 4.7A)
None
EDO  A   6 ( 4.5A)
 0.96A 3sh8B-3cjmA:
26.5		 3sh8B-3cjmA:
27.83
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.
3cjm PUTATIVE
BETA-LACTAMASE

(Enterococcus
faecalis) 		PF13354
(Beta-lactamase2) 		7 ALA A 107
SER A 108
LYS A 111
SER A 169
ASN A 171
LYS A 257
GLY A 259
 None
NO3  A   1 (-2.9A)
NO3  A   1 (-3.5A)
None
NO3  A   1 ( 4.7A)
None
None
 0.28A 3sh8B-3cjmA:
26.5		 3sh8B-3cjmA:
27.83
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.
3dwk PENICILLIN-BINDING
PROTEIN 2

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		6 SER A 398
LYS A 401
SER A 454
ASN A 456
LYS A 583
GLY A 585
 SO4  A  26 (-2.7A)
SO4  A  26 ( 4.8A)
SO4  A  26 (-3.1A)
None
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.3A)
 0.64A 3sh8B-3dwkA:
17.4		 3sh8B-3dwkA:
17.94
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.
3hum PENICILLIN-BINDING
PROTEIN 4

(Staphylococcus
aureus) 		PF00768
(Peptidase_S11)
PF09211
(DUF1958) 		6 ALA A  74
SER A  75
LYS A  78
ASN A 141
GLY A 261
TYR A 291
 CEW  A 501 ( 4.1A)
CEW  A 501 (-2.6A)
None
None
CEW  A 501 (-3.1A)
None
 1.03A 3sh8B-3humA:
22.8		 3sh8B-3humA:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hum PENICILLIN-BINDING
PROTEIN 4

(Staphylococcus
aureus) 		PF00768
(Peptidase_S11)
PF09211
(DUF1958) 		6 ALA A  74
SER A  75
LYS A  78
ASN A 141
LYS A 259
GLY A 261
 CEW  A 501 ( 4.1A)
CEW  A 501 (-2.6A)
None
None
CEW  A 501 ( 4.4A)
CEW  A 501 (-3.1A)
 0.77A 3sh8B-3humA:
22.8		 3sh8B-3humA:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hum PENICILLIN-BINDING
PROTEIN 4

(Staphylococcus
aureus) 		PF00768
(Peptidase_S11)
PF09211
(DUF1958) 		6 ALA A  74
SER A  75
SER A 139
LYS A 259
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 (-3.1A)
None
 0.76A 3sh8B-3humA:
22.8		 3sh8B-3humA:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3if6 OXA-46 OXACILLINASE

(Pseudomonas
aeruginosa) 		PF00905
(Transpeptidase) 		6 ALA C  71
SER C  72
SER C 120
LYS C 210
GLY C 212
ARG C 249
 None
KCX  C  75 ( 2.7A)
KCX  C  75 ( 3.5A)
KCX  C  75 ( 4.4A)
None
None
 0.59A 3sh8B-3if6C:
19.1		 3sh8B-3if6C:
23.15
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) 		8 SER A  85
LYS A  88
ASN A 145
LYS A 247
GLY A 249
ALA A 250
ARG A 256
TYR A 286
 EPE  A 305 (-3.4A)
None
None
EPE  A 305 (-3.1A)
EPE  A 305 (-3.4A)
EPE  A 305 ( 4.1A)
EPE  A 305 (-3.7A)
None
 0.32A 3sh8B-3lezA:
42.1		 3sh8B-3lezA:
56.39
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) 		8 SER A  85
SER A 143
ASN A 145
LYS A 247
GLY A 249
ALA A 250
ARG A 256
TYR A 286
 EPE  A 305 (-3.4A)
EPE  A 305 (-2.5A)
None
EPE  A 305 (-3.1A)
EPE  A 305 (-3.4A)
EPE  A 305 ( 4.1A)
EPE  A 305 (-3.7A)
None
 0.53A 3sh8B-3lezA:
42.1		 3sh8B-3lezA:
56.39
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.
3mfd D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACB

(Bacillus
subtilis) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		7 ALA A  59
SER A  60
LYS A  63
SER A 115
ASN A 117
LYS A 220
GLY A 222
 CIT  A   1 ( 4.5A)
CIT  A   1 (-2.5A)
CIT  A   1 ( 4.4A)
CIT  A   1 (-2.8A)
None
CIT  A   1 ( 3.7A)
CIT  A   1 (-3.3A)
 0.37A 3sh8B-3mfdA:
22.5		 3sh8B-3mfdA:
24.26
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.
3q7z BETA-LACTAMASE
REGULATORY PROTEIN
BLAR1

(Staphylococcus
aureus) 		PF00905
(Transpeptidase) 		6 SER A 389
LYS A 392
SER A 437
ASN A 439
LYS A 526
GLY A 528
 BOU  A 584 (-1.4A)
BOU  A 584 ( 3.9A)
BOU  A 584 (-2.8A)
BOU  A 584 (-3.5A)
BOU  A 584 (-3.3A)
BOU  A 584 (-3.7A)
 0.41A 3sh8B-3q7zA:
18.8		 3sh8B-3q7zA:
23.08
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
LYS A  73
SER A 130
ASN A 132
LYS A 234
GLY A 236
ALA A 237
ARG A 244
TYR A 274
 None
 0.43A 3sh8B-3qhyA:
41.9		 3sh8B-3qhyA:
57.78
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.
3qnb OXACILLINASE

(Escherichia
coli) 		PF00905
(Transpeptidase) 		6 ALA A  66
SER A  67
SER A 115
LYS A 205
GLY A 207
ARG A 250
 None
KCX  A  70 ( 2.7A)
KCX  A  70 ( 4.6A)
KCX  A  70 ( 4.7A)
None
SO4  A   4 (-3.4A)
 0.67A 3sh8B-3qnbA:
19.5		 3sh8B-3qnbA:
22.55
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.
3rju BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE

(Yersinia pestis) 		PF00144
(Beta-lactamase) 		6 ALA A  58
SER A  59
LYS A  62
ASN A 158
LYS A 299
GLY A 301
 CIT  A 391 ( 4.1A)
CIT  A 391 (-2.5A)
CIT  A 391 ( 4.4A)
CIT  A 391 ( 4.7A)
CIT  A 391 ( 4.4A)
CIT  A 391 (-3.3A)
 0.37A 3sh8B-3rjuA:
14.6		 3sh8B-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
LYS A 339
SER A 390
ASN A 392
LYS A 525
GLY A 527
 None
 0.56A 3sh8B-3ue3A:
16.7		 3sh8B-3ue3A:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3upn PENICILLIN-BINDING
PROTEIN A

(Mycobacterium
tuberculosis) 		PF00905
(Transpeptidase) 		6 SER A 222
LYS A 225
SER A 281
ASN A 283
LYS A 424
GLY A 426
 IM2  A 800 (-1.3A)
IM2  A 800 ( 4.5A)
IM2  A 800 (-3.0A)
IM2  A 800 (-3.3A)
IM2  A 800 ( 3.9A)
IM2  A 800 (-3.4A)
 0.50A 3sh8B-3upnA:
17.6		 3sh8B-3upnA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v39 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Bdellovibrio
bacteriovorus) 		PF02113
(Peptidase_S13) 		7 ALA A  69
SER A  70
LYS A  73
SER A 251
ASN A 253
LYS A 357
GLY A 359
 TAU  A 501 (-3.4A)
TAU  A 501 (-1.5A)
TAU  A 501 ( 3.7A)
TAU  A 501 (-2.6A)
TAU  A 501 (-3.1A)
TAU  A 501 ( 4.3A)
TAU  A 501 (-3.5A)
 0.45A 3sh8B-3v39A:
18.0		 3sh8B-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
LYS A  73
SER A 130
ASN A 132
LYS A 234
GLY A 236
ARG A 220
 None
 0.97A 3sh8B-3w4qA:
40.9		 3sh8B-3w4qA:
46.21
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) 		8 SER A  70
LYS A  73
SER A 130
ASN A 132
LYS A 234
GLY A 236
ALA A 237
ARG A 244
 SO4  A1291 (-3.4A)
None
SO4  A1291 (-3.1A)
None
SO4  A1291 (-3.3A)
SO4  A1291 (-3.3A)
SO4  A1291 (-3.9A)
SO4  A1291 ( 3.6A)
 0.32A 3sh8B-3zdjA:
36.5		 3sh8B-3zdjA:
39.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zg8 PENICILLIN-BINDING
PROTEIN 4

(Listeria
monocytogenes) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		6 SER B 394
LYS B 397
SER B 449
ASN B 451
LYS B 575
GLY B 577
 AIX  B 800 (-0.2A)
AIX  B 800 ( 3.1A)
AIX  B 800 (-2.4A)
AIX  B 800 (-2.7A)
AIX  B 800 ( 4.0A)
AIX  B 800 ( 3.7A)
 0.37A 3sh8B-3zg8B:
16.7		 3sh8B-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) 		6 SER A  70
LYS A  73
SER A 130
ASN A 132
LYS A 234
GLY A 236
 None
 0.26A 3sh8B-3znyA:
40.2		 3sh8B-3znyA:
41.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp. R39) 		PF02113
(Peptidase_S13) 		7 ALA A  48
SER A  49
LYS A  52
SER A 298
ASN A 300
LYS A 410
GLY A 412
 B07  A 500 (-3.8A)
B07  A 500 (-1.4A)
B07  A 500 (-3.4A)
B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 (-1.6A)
B07  A 500 (-3.2A)
 0.60A 3sh8B-3zvtA:
20.3		 3sh8B-3zvtA:
22.22
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
LYS A  73
SER A 130
ASN A 132
LYS A 234
GLY A 236
ARG A 220
 PEG  A 307 (-2.4A)
PEG  A 307 ( 3.6A)
PEG  A 307 (-2.4A)
PEG  A 307 (-3.1A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-2.7A)
PEG  A 307 ( 3.6A)
 0.98A 3sh8B-4c6yA:
39.1		 3sh8B-4c6yA:
47.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c75 BETA-LACTAMASE

(synthetic
construct) 		PF13354
(Beta-lactamase2) 		7 SER A  70
LYS A  73
SER A 130
ASN A 132
LYS A 234
GLY A 236
ARG A 244
 NA  A 294 ( 2.5A)
SO4  A 291 ( 4.6A)
SO4  A 291 (-2.8A)
None
SO4  A 291 (-3.4A)
NA  A 294 ( 3.2A)
SO4  A 291 (-4.1A)
 0.31A 3sh8B-4c75A:
39.5		 3sh8B-4c75A:
56.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1

(Serratia
fonticola) 		PF13354
(Beta-lactamase2) 		6 SER A  70
LYS A  73
SER A 130
ASN A 132
LYS A 234
GLY A 236
 MER  A 401 (-1.3A)
MER  A 401 ( 4.4A)
MER  A 401 (-2.8A)
MER  A 401 (-3.2A)
MER  A 401 (-3.0A)
MER  A 401 (-3.6A)
 0.48A 3sh8B-4ev4A:
39.3		 3sh8B-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
LYS A  52
SER A 110
ASN A 112
LYS A 213
GLY A 215
 None
SO4  A 301 (-3.1A)
None
SO4  A 301 (-3.1A)
None
SO4  A 301 (-3.0A)
SO4  A 301 (-3.5A)
 0.31A 3sh8B-4ewfA:
30.3		 3sh8B-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
LYS A  52
SER A 110
LYS A 213
GLY A 215
ARG A 197
 None
SO4  A 301 (-3.1A)
None
SO4  A 301 (-3.1A)
SO4  A 301 (-3.0A)
SO4  A 301 (-3.5A)
SO4  A 301 ( 3.7A)
 0.99A 3sh8B-4ewfA:
30.3		 3sh8B-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.
4fsf PENICILLIN-BINDING
PROTEIN 3

(Pseudomonas
aeruginosa) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		6 SER A 294
LYS A 297
SER A 349
ASN A 351
LYS A 484
GLY A 486
 0W0  A 601 (-1.4A)
0W0  A 601 ( 4.2A)
0W0  A 601 (-3.1A)
0W0  A 601 (-3.1A)
0W0  A 601 (-3.0A)
0W0  A 601 (-3.4A)
 0.54A 3sh8B-4fsfA:
16.9		 3sh8B-4fsfA:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hes BETA-LACTAMASE CLASS
A-LIKE PROTEIN

(Veillonella
parvula) 		PF13354
(Beta-lactamase2) 		7 ALA A  55
SER A  56
LYS A  59
SER A 117
ASN A 119
LYS A 217
GLY A 219
 None
GOL  A 301 (-3.0A)
GOL  A 301 ( 4.2A)
GOL  A 301 (-2.7A)
None
GOL  A 301 ( 4.6A)
GOL  A 301 (-3.5A)
 0.31A 3sh8B-4hesA:
27.6		 3sh8B-4hesA:
25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ied CLASS D
BETA-LACTAMASE

(Fusobacterium
nucleatum) 		PF00905
(Transpeptidase) 		6 ALA A  56
SER A  57
SER A 106
LYS A 196
GLY A 198
ARG A 239
 None
KCX  A  60 ( 2.7A)
KCX  A  60 ( 3.4A)
KCX  A  60 ( 4.5A)
None
None
 0.62A 3sh8B-4iedA:
19.9		 3sh8B-4iedA:
25.57
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.
4k0x BETA-LACTAMASE

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase) 		6 ALA A  78
SER A  79
SER A 126
LYS A 216
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 (-3.4A)
BCT  A 301 (-3.0A)
 0.50A 3sh8B-4k0xA:
19.7		 3sh8B-4k0xA:
24.58
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.
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)
 0.47A 3sh8B-4oh0A:
18.7		 3sh8B-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.
4ppr PENICILLIN-BINDING
PROTEIN DACB1

(Mycobacterium
tuberculosis) 		PF00768
(Peptidase_S11) 		7 ALA A 120
SER A 121
LYS A 124
SER A 176
ASN A 178
LYS A 282
GLY A 284
 MER  A 400 (-3.5A)
MER  A 400 (-1.3A)
MER  A 400 ( 4.1A)
MER  A 400 (-2.5A)
MER  A 400 (-3.0A)
MER  A 400 (-3.0A)
MER  A 400 (-3.1A)
 0.44A 3sh8B-4pprA:
20.2		 3sh8B-4pprA:
23.58
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.
4ra7 PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Atopobium
parvulum) 		PF00905
(Transpeptidase) 		6 SER A 682
LYS A 685
SER A 737
ASN A 739
LYS A 890
GLY A 892
 NXU  A1001 (-1.3A)
NXU  A1001 ( 4.2A)
NXU  A1001 (-3.2A)
NXU  A1001 (-3.5A)
NXU  A1001 (-3.5A)
NXU  A1001 (-3.4A)
 0.42A 3sh8B-4ra7A:
16.0		 3sh8B-4ra7A:
20.79
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.
4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Mycobacterium
tuberculosis) 		PF00768
(Peptidase_S11) 		7 ALA A  68
SER A  69
LYS A  72
SER A 124
ASN A 126
LYS A 230
GLY A 232
 None
 0.33A 3sh8B-4ryeA:
22.1		 3sh8B-4ryeA:
25.77
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) 		6 SER A  71
LYS A  74
SER A 131
ASN A 133
LYS A 233
GLY A 235
 ACT  A 301 (-3.5A)
ACT  A 301 ( 4.8A)
ACT  A 301 (-2.9A)
None
ACT  A 301 (-3.4A)
ACT  A 301 (-3.3A)
 0.21A 3sh8B-4yfmA:
39.4		 3sh8B-4yfmA:
45.00
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.
4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2

(Legionella
pneumophila) 		PF00905
(Transpeptidase) 		6 SER A 400
LYS A 403
SER A 454
ASN A 456
LYS A 568
GLY A 570
 NHE  A 901 (-3.2A)
None
NHE  A 901 (-2.9A)
None
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
 0.58A 3sh8B-4ztkA:
16.3		 3sh8B-4ztkA:
22.32
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.
5aqa OFF7_DB04V3

(synthetic
construct) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13354
(Beta-lactamase2) 		8 SER A 200
LYS A 203
SER A 260
ASN A 262
LYS A 364
GLY A 366
ALA A 367
ARG A 373
 None
 0.41A 3sh8B-5aqaA:
35.4		 3sh8B-5aqaA:
26.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.50A 3sh8B-5bohA:
18.7		 3sh8B-5bohA:
23.61
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.
5cer BD0816

(Bdellovibrio
bacteriovorus) 		PF02113
(Peptidase_S13) 		6 ALA A  57
LYS A  61
SER A 239
ASN A 241
LYS A 345
GLY A 347
 None
 0.30A 3sh8B-5cerA:
18.8		 3sh8B-5cerA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cxw PENICILLIN-BINDING
PROTEIN 1A

(Mycobacterium
tuberculosis) 		PF00905
(Transpeptidase) 		6 SER A 345
LYS A 348
SER A 398
ASN A 400
LYS A 539
GLY A 541
 35P  A 702 (-1.3A)
35P  A 702 ( 4.2A)
35P  A 702 (-2.9A)
35P  A 702 (-3.1A)
35P  A 702 (-3.3A)
35P  A 702 (-3.5A)
 0.44A 3sh8B-5cxwA:
17.4		 3sh8B-5cxwA:
21.70
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) 		6 SER A  47
LYS A  50
SER A 107
ASN A 109
LYS A 211
GLY A 213
 None
 0.25A 3sh8B-5e2eA:
40.1		 3sh8B-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) 		6 SER A  70
LYS A  73
SER A 131
ASN A 133
LYS A 235
GLY A 237
 ACT  A 311 (-3.2A)
None
ACT  A 311 (-3.0A)
None
ACT  A 311 (-3.3A)
ACT  A 311 (-3.2A)
 0.24A 3sh8B-5e43A:
40.1		 3sh8B-5e43A:
37.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eoe BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		6 SER A  62
LYS A  65
SER A 123
ASN A 125
LYS A 227
GLY A 229
 CIT  A 303 (-2.8A)
CIT  A 303 (-3.6A)
CIT  A 303 (-2.5A)
CIT  A 303 (-3.2A)
CIT  A 303 (-3.5A)
CIT  A 303 (-3.5A)
 0.28A 3sh8B-5eoeA:
37.4		 3sh8B-5eoeA:
35.53
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
LYS A  67
SER A 125
ASN A 127
LYS A 229
GLY A 231
ARG A 238
 IM2  A 301 (-1.4A)
IM2  A 301 ( 3.9A)
IM2  A 301 (-2.7A)
IM2  A 301 (-3.2A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.5A)
 0.32A 3sh8B-5f83A:
36.1		 3sh8B-5f83A:
34.31
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) 		6 SER A  70
LYS A  73
SER A 130
ASN A 132
LYS A 234
GLY A 236
 None
 0.23A 3sh8B-5gl9A:
39.9		 3sh8B-5gl9A:
43.49
Potential target for repurposing, i.e. matched protein structure has less than 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
LYS A 513
SER A 572
ASN A 574
LYS A 698
GLY A 700
 AZR  A 902 (-1.4A)
AZR  A 902 ( 4.0A)
AZR  A 902 ( 3.7A)
AZR  A 902 (-3.4A)
AZR  A 902 ( 4.5A)
AZR  A 902 (-3.3A)
 0.46A 3sh8B-5hlbA:
17.6		 3sh8B-5hlbA:
17.43
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.
5iy2 BETA-LACTAMASE
OXA-143

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase) 		6 ALA A  80
SER A  81
SER A 128
LYS A 218
GLY A 220
ARG A 261
 None
KCX  A  84 (-2.7A)
GOL  A 301 (-3.6A)
GOL  A 301 ( 4.7A)
GOL  A 301 (-3.3A)
GOL  A 301 (-3.1A)
 0.66A 3sh8B-5iy2A:
19.6		 3sh8B-5iy2A:
24.05
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.
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
 0.57A 3sh8B-5kzhA:
19.8		 3sh8B-5kzhA:
23.53
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.
5ll7 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 6 SER A  70
LYS A  73
SER A 130
ASN A 132
LYS A 234
GLY A 236
 6YV  A 301 (-1.7A)
6YV  A 301 ( 3.8A)
6YV  A 301 (-2.6A)
6YV  A 301 (-3.7A)
6YV  A 301 (-3.6A)
6YV  A 301 ( 4.0A)
 0.58A 3sh8B-5ll7A:
40.2		 3sh8B-5ll7A:
17.30
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.
5tfq BETA-LACTAMASE

(Bacteroides
cellulosilyticus) 		PF13354
(Beta-lactamase2) 		6 SER A  48
LYS A  51
SER A 112
ASN A 114
LYS A 215
GLY A 217
 PO4  A 301 (-3.8A)
None
PO4  A 301 (-2.6A)
None
PO4  A 301 (-3.2A)
PO4  A 301 (-3.3A)
 0.29A 3sh8B-5tfqA:
31.1		 3sh8B-5tfqA:
25.52
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.
5tr7 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Vibrio cholerae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		7 ALA A  65
SER A  66
LYS A  69
SER A 129
ASN A 131
LYS A 232
GLY A 234
 None
 0.74A 3sh8B-5tr7A:
22.1		 3sh8B-5tr7A:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tr7 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Vibrio cholerae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		6 ALA A  65
SER A  66
LYS A  69
SER A 129
GLY A 234
TYR A 241
 None
 1.00A 3sh8B-5tr7A:
22.1		 3sh8B-5tr7A:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tro PENICILLIN-BINDING
PROTEIN 1

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		6 SER A 314
LYS A 317
SER A 368
ASN A 370
LYS A 513
GLY A 515
 None
 0.39A 3sh8B-5troA:
17.4		 3sh8B-5troA:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tro PENICILLIN-BINDING
PROTEIN 1

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		6 SER A 314
LYS A 317
SER A 368
ASN A 370
LYS A 513
TYR A 566
 None
 0.88A 3sh8B-5troA:
17.4		 3sh8B-5troA:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ty7 PENICILLIN-BINDING
PROTEIN 4

(Staphylococcus
aureus) 		no annotation 7 ALA A  74
SER A  75
LYS A  78
SER A 139
ASN A 141
LYS A 259
GLY A 261
 NFF  A 401 ( 3.7A)
NFF  A 401 (-1.1A)
NFF  A 401 ( 4.4A)
NFF  A 401 (-3.4A)
None
NFF  A 401 ( 4.8A)
NFF  A 401 (-3.7A)
 0.79A 3sh8B-5ty7A:
21.0		 3sh8B-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.
5ty7 PENICILLIN-BINDING
PROTEIN 4

(Staphylococcus
aureus) 		no annotation 6 ALA A  74
SER A  75
LYS A  78
SER A 139
ASN A 141
TYR A 291
 NFF  A 401 ( 3.7A)
NFF  A 401 (-1.1A)
NFF  A 401 ( 4.4A)
NFF  A 401 (-3.4A)
None
NFF  A 401 (-3.7A)
 0.88A 3sh8B-5ty7A:
21.0		 3sh8B-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.
5u47 PENICILLIN BINDING
PROTEIN 2X

(Streptococcus
thermophilus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF03793
(PASTA) 		6 SER A 343
LYS A 346
SER A 402
ASN A 404
LYS A 553
GLY A 555
 None
 0.32A 3sh8B-5u47A:
17.2		 3sh8B-5u47A:
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.
5uy7 PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Burkholderia
ambifaria) 		PF00905
(Transpeptidase) 		6 SER A 306
LYS A 309
SER A 360
ASN A 362
LYS A 497
GLY A 499
 SO4  A 701 (-2.5A)
SO4  A 701 ( 4.8A)
SO4  A 701 ( 4.3A)
None
None
SO4  A 701 (-3.4A)
 0.81A 3sh8B-5uy7A:
16.8		 3sh8B-5uy7A:
19.78
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.
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 3sh8B-5vfdA:
19.3		 3sh8B-5vfdA:
23.57
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.
5x5g BETA-LACTAMASE

(Serratia
marcescens) 		PF13354
(Beta-lactamase2) 		7 SER A  56
LYS A  59
SER A 120
ASN A 122
LYS A 224
GLY A 226
ARG A 210
 OP0  A 305 (-1.5A)
OP0  A 305 (-3.6A)
OP0  A 305 (-2.7A)
OP0  A 305 (-3.1A)
OP0  A 305 (-3.4A)
OP0  A 305 (-3.2A)
OP0  A 305 (-3.6A)
 1.00A 3sh8B-5x5gA:
32.4		 3sh8B-5x5gA:
26.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zqe -

(-) 		no annotation 7 ALA A  57
SER A  58
LYS A  61
ASN A 120
LYS A 222
GLY A 224
TYR A 231
 CES  A 301 (-3.5A)
CES  A 301 (-1.3A)
CES  A 301 ( 4.1A)
CES  A 301 (-3.3A)
None
CES  A 301 (-3.2A)
None
 0.78A 3sh8B-5zqeA:
22.4		 3sh8B-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
LYS A  61
SER A 118
ASN A 120
LYS A 222
GLY A 224
 CES  A 301 (-3.5A)
CES  A 301 (-1.3A)
CES  A 301 ( 4.1A)
CES  A 301 ( 3.7A)
CES  A 301 (-3.3A)
None
CES  A 301 (-3.2A)
 0.37A 3sh8B-5zqeA:
22.4		 3sh8B-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
LYS A  61
ASN A 120
LYS A 222
GLY A 224
ARG A 257
TYR A 231
 CES  A 301 (-1.3A)
CES  A 301 ( 4.1A)
CES  A 301 (-3.3A)
None
CES  A 301 (-3.2A)
CES  A 301 (-2.9A)
None
 1.02A 3sh8B-5zqeA:
22.4		 3sh8B-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
LYS A  61
SER A 118
ASN A 120
LYS A 222
GLY A 224
ARG A 257
 CES  A 301 (-1.3A)
CES  A 301 ( 4.1A)
CES  A 301 ( 3.7A)
CES  A 301 (-3.3A)
None
CES  A 301 (-3.2A)
CES  A 301 (-2.9A)
 0.82A 3sh8B-5zqeA:
22.4		 3sh8B-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
LYS A  71
SER A 125
ASN A 127
LYS A 232
GLY A 234
 SEE  A  68 ( 2.7A)
SEE  A  68 ( 2.8A)
SEE  A  68 ( 1.4A)
SEE  A  68 ( 3.6A)
SEE  A  68 ( 3.5A)
SEE  A  68 ( 3.9A)
 0.49A 3sh8B-6aziA:
21.7		 3sh8B-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 7 SER A  70
LYS A  73
ASN A 104
SER A 130
ASN A 132
LYS A 234
GLY A 236
 3GK  A 301 ( 3.8A)
3GK  A 301 ( 4.0A)
3GK  A 301 ( 3.2A)
3GK  A 301 (-2.7A)
3GK  A 301 (-3.5A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.4A)
 0.30A 3sh8B-6bu3A:
40.1		 3sh8B-6bu3A:
15.91