SIMILAR PATTERNS OF AMINO ACIDS FOR 6B6F_A_9F2A301_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1alq CP254 BETA-LACTAMASE

(Staphylococcus
aureus) 		PF13354
(Beta-lactamase2) 		5 SER A  70
SER A 130
ASN A 170
LYS A 234
GLY A 236
 None
 0.52A 6b6fA-1alqA:
27.3		 6b6fA-1alqA:
15.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bsg BETA LACTAMASE

(Streptomyces
albus) 		PF13354
(Beta-lactamase2) 		9 CYH A  69
SER A  70
SER A 130
PRO A 167
ASN A 170
LYS A 234
THR A 235
GLY A 236
GLY A 238
 None
 0.43A 6b6fA-1bsgA:
41.1		 6b6fA-1bsgA:
18.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bue PROTEIN
(IMIPENEM-HYDROLYSIN
G BETA-LACTAMASE)

(Enterobacter
cloacae) 		PF13354
(Beta-lactamase2) 		7 CSS A  69
SER A  70
SER A 130
ASN A 170
LYS A 234
THR A 235
GLY A 236
 None
 0.47A 6b6fA-1bueA:
37.9		 6b6fA-1bueA:
16.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dy6 CARBAPENEM-HYDROLYSI
NG BETA-LACTAMASE
SME-1

(Serratia
marcescens) 		PF13354
(Beta-lactamase2) 		7 CSS A  69
SER A  70
SER A 130
ASN A 170
LYS A 234
THR A 235
GLY A 236
 None
 0.50A 6b6fA-1dy6A:
38.4		 6b6fA-1dy6A:
16.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		6 SER A  70
SER A 130
LYS A 234
THR A 235
GLY A 236
THR A 237
 SO4  A 500 (-3.1A)
SO4  A 500 (-2.6A)
SO4  A 500 (-3.2A)
SO4  A 500 (-3.8A)
SO4  A 500 (-3.5A)
SO4  A 500 (-3.5A)
 0.42A 6b6fA-1e25A:
30.9		 6b6fA-1e25A:
11.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g68 BETA-LACTAMASE PSE-4

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		5 SER A  70
PRO A 167
ASN A 170
GLY A 236
GLY A 238
 SO4  A 400 (-2.9A)
None
None
SO4  A 400 (-3.0A)
None
 0.26A 6b6fA-1g68A:
36.8		 6b6fA-1g68A:
15.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hzo BETA-LACTAMASE

(Proteus
vulgaris) 		PF13354
(Beta-lactamase2) 		9 SER A  70
SER A 130
PRO A 167
ASN A 170
LYS A 234
THR A 235
GLY A 236
GLY A 238
ASP A 240
 MES  A1000 (-3.1A)
MES  A1000 (-2.7A)
None
None
MES  A1000 (-2.9A)
MES  A1000 (-3.7A)
MES  A1000 (-3.1A)
None
None
 0.43A 6b6fA-1hzoA:
40.8		 6b6fA-1hzoA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i2w BETA-LACTAMASE

(Bacillus
licheniformis) 		PF13354
(Beta-lactamase2) 		7 SER A  70
SER A 130
PRO A 167
LYS A 234
THR A 235
GLY A 236
GLY A 238
 CFX  A1300 (-1.3A)
CFX  A1300 (-3.1A)
CFX  A1300 (-4.4A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.6A)
CFX  A1300 (-3.3A)
CFX  A1300 ( 4.1A)
 0.58A 6b6fA-1i2wA:
40.9		 6b6fA-1i2wA:
17.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j9m DD-TRANSPEPTIDASE

(Streptomyces
sp. K15) 		PF00768
(Peptidase_S11) 		6 SER A  35
SER A  96
LYS A 213
THR A 214
GLY A 215
GLY A 217
 NA  A 600 (-3.3A)
NA  A 600 (-3.1A)
NA  A 600 (-3.4A)
NA  A 600 (-3.9A)
NA  A 600 ( 3.6A)
None
 0.84A 6b6fA-1j9mA:
22.5		 6b6fA-1j9mA:
17.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n4o L2 BETA-LACTAMASE

(Stenotrophomonas
maltophilia) 		PF13354
(Beta-lactamase2) 		8 CYH A  69
SER A  70
SER A 130
PRO A 167
ASN A 170
LYS A 234
THR A 235
GLY A 236
 None
SO4  A1002 (-2.9A)
SO4  A1002 (-3.1A)
None
None
SO4  A1002 (-3.6A)
SO4  A1002 (-3.6A)
SO4  A1002 (-3.2A)
 0.44A 6b6fA-1n4oA:
37.4		 6b6fA-1n4oA:
17.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n9b BETA-LACTAMASE SHV-2

(Klebsiella
pneumoniae) 		PF13354
(Beta-lactamase2) 		6 SER A  70
SER A 130
ASN A 170
LYS A 234
THR A 235
GLY A 236
 EPE  A 400 (-3.7A)
EPE  A 400 (-2.5A)
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
 0.81A 6b6fA-1n9bA:
33.4		 6b6fA-1n9bA:
17.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nrf REGULATORY PROTEIN
BLAR1

(Bacillus
licheniformis) 		PF00905
(Transpeptidase) 		6 SER A 402
SER A 450
LYS A 539
THR A 540
GLY A 541
THR A 542
 None
 0.66A 6b6fA-1nrfA:
18.7		 6b6fA-1nrfA:
14.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w5d PENICILLIN-BINDING
PROTEIN

(Bacillus
subtilis) 		PF02113
(Peptidase_S13) 		5 SER A  52
SER A 299
LYS A 411
THR A 412
GLY A 413
 None
 0.49A 6b6fA-1w5dA:
20.0		 6b6fA-1w5dA:
11.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Streptococcus
pneumoniae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		7 SER A  56
SER A 119
LYS A 239
THR A 240
GLY A 241
THR A 242
ASP A 244
 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 (-4.0A)
None
 0.70A 6b6fA-1xp4A:
19.0		 6b6fA-1xp4A:
13.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zg4 BETA-LACTAMASE TEM

(Escherichia
coli) 		PF13354
(Beta-lactamase2) 		7 SER A  70
SER A 130
PRO A 167
ASN A 170
LYS A 234
GLY A 236
GLY A 238
 None
 0.50A 6b6fA-1zg4A:
36.1		 6b6fA-1zg4A:
14.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cc1 BETA-LACTAMASE

(Mycolicibacterium
fortuitum) 		PF13354
(Beta-lactamase2) 		9 CYH A  69
SER A  70
SER A 130
ASN A 170
LYS A 234
THR A 235
GLY A 236
GLY A 238
ASP A 240
 None
 0.38A 6b6fA-2cc1A:
39.3		 6b6fA-2cc1A:
16.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cc1 BETA-LACTAMASE

(Mycolicibacterium
fortuitum) 		PF13354
(Beta-lactamase2) 		6 SER A  70
SER A 130
PRO A 104
LYS A 234
THR A 235
GLY A 236
 None
 1.35A 6b6fA-2cc1A:
39.3		 6b6fA-2cc1A:
16.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dwu GLUTAMATE RACEMASE

(Bacillus
anthracis) 		PF01177
(Asp_Glu_race) 		6 ILE A 251
SER A 247
GLY A 243
THR A 241
GLY A  39
ASP A  14
 None
None
None
None
None
DGL  A 278 (-3.6A)
 1.47A 6b6fA-2dwuA:
undetectable		 6b6fA-2dwuA:
15.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2exa PENICILLIN-BINDING
PROTEIN 4

(Escherichia
coli) 		PF02113
(Peptidase_S13) 		5 SER A  62
SER A 306
LYS A 417
THR A 418
GLY A 419
 DGF  A 501 (-1.3A)
DGF  A 501 (-3.3A)
None
None
DGF  A 501 (-3.4A)
 0.53A 6b6fA-2exaA:
16.9		 6b6fA-2exaA:
11.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fff PENICILLIN-BINDING
PROTEIN 1B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		6 SER B 460
SER B 516
LYS B 651
THR B 652
GLY B 653
THR B 654
 None
 0.66A 6b6fA-2fffB:
16.4		 6b6fA-2fffB:
9.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN

(Staphylococcus
aureus) 		PF00905
(Transpeptidase) 		7 SER A 391
SER A 439
LYS A 528
THR A 529
GLY A 530
THR A 531
GLY A 532
 GOL  A 604 ( 2.7A)
GOL  A 604 (-2.6A)
GOL  A 604 (-2.9A)
GOL  A 604 (-3.7A)
GOL  A 605 ( 3.2A)
GOL  A 604 ( 3.6A)
None
 0.55A 6b6fA-2iwbA:
18.8		 6b6fA-2iwbA:
17.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j7v TLL2115 PROTEIN

(Synechococcus
elongatus) 		PF13354
(Beta-lactamase2) 		5 SER A  61
SER A 122
LYS A 219
THR A 220
GLY A 221
 None
 0.43A 6b6fA-2j7vA:
32.0		 6b6fA-2j7vA:
12.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jch PENICILLIN-BINDING
PROTEIN 1B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		6 SER A 460
SER A 516
LYS A 651
THR A 652
GLY A 653
THR A 654
 PL7  A1793 (-1.4A)
PL7  A1793 (-3.0A)
PL7  A1793 ( 4.1A)
PL7  A1793 (-3.9A)
PL7  A1793 (-3.3A)
PL7  A1793 (-4.1A)
 0.66A 6b6fA-2jchA:
15.2		 6b6fA-2jchA:
8.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wae PENICILLIN-BINDING
PROTEIN 2B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 SER A 386
SER A 443
LYS A 615
THR A 616
GLY A 617
 None
 0.60A 6b6fA-2waeA:
16.0		 6b6fA-2waeA:
8.60
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.
2wuq BETA-LACTAMASE
REGULATORY PROTEIN
BLAB

(Streptomyces
cacaoi) 		PF13354
(Beta-lactamase2) 		6 SER A  47
SER A 109
LYS A 254
THR A 255
GLY A 256
THR A 257
 None
 0.53A 6b6fA-2wuqA:
28.7		 6b6fA-2wuqA:
14.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wyx BETA-LACTAMSE TOHO-1

(Escherichia
coli) 		PF13354
(Beta-lactamase2) 		10 CYH A  69
SER A  70
SER A 130
PRO A 167
ASN A 170
LYS A 234
THR A 235
GLY A 236
GLY A 238
ASP A 240
 None
 0.65A 6b6fA-2wyxA:
40.2		 6b6fA-2wyxA:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z2m PENICILLIN-BINDING
PROTEIN 2X

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		5 SER B 337
SER B 395
LYS B 547
GLY B 549
THR B 550
 CDS  B 901 ( 1.3A)
CDS  B 901 ( 3.2A)
CDS  B 901 ( 3.9A)
CDS  B 901 ( 3.4A)
CDS  B 901 ( 3.6A)
 0.59A 6b6fA-2z2mB:
15.9		 6b6fA-2z2mB:
13.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a3i PENICILLIN-BINDING
PROTEIN 4

(Haemophilus
influenzae) 		PF02113
(Peptidase_S13) 		5 SER A  69
SER A 310
LYS A 420
THR A 421
GLY A 422
 AIX  A 501 (-1.3A)
AIX  A 501 (-2.8A)
AIX  A 501 ( 3.8A)
AIX  A 501 (-3.4A)
AIX  A 501 (-3.4A)
 0.53A 6b6fA-3a3iA:
19.5		 6b6fA-3a3iA:
12.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bfg CLASS A
BETA-LACTAMASE SED1

(Citrobacter
sedlakii) 		PF13354
(Beta-lactamase2) 		9 CSS A  69
SER A  70
SER A 130
PRO A 167
ASN A 170
LYS A 234
THR A 235
GLY A 236
ASP A 240
 MER  A 301 (-4.6A)
MER  A 301 (-1.3A)
MER  A 301 (-2.6A)
None
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.5A)
MER  A 301 (-3.0A)
None
 0.56A 6b6fA-3bfgA:
40.7		 6b6fA-3bfgA:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3byd BETA-LACTAMASE OXY-1

(Klebsiella
oxytoca) 		PF13354
(Beta-lactamase2) 		10 CYH A  72
SER A  73
SER A 133
PRO A 170
ASN A 173
LYS A 237
THR A 238
GLY A 239
GLY A 241
ASP A 242
 None
SO4  A 301 (-2.9A)
SO4  A 301 (-2.8A)
None
None
SO4  A 301 (-3.1A)
SO4  A 301 (-3.9A)
SO4  A 301 (-3.3A)
None
None
 0.46A 6b6fA-3bydA:
41.0		 6b6fA-3bydA:
19.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dwk PENICILLIN-BINDING
PROTEIN 2

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		6 SER A 398
SER A 454
LYS A 583
THR A 584
GLY A 585
GLY A 587
 SO4  A  26 (-2.7A)
SO4  A  26 (-3.1A)
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.6A)
SO4  A  26 (-3.3A)
None
 0.79A 6b6fA-3dwkA:
18.2		 6b6fA-3dwkA:
8.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dwk PENICILLIN-BINDING
PROTEIN 2

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		6 SER A 399
LYS A 583
THR A 584
GLY A 585
THR A 586
GLY A 587
 None
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.6A)
SO4  A  26 (-3.3A)
SO4  A  26 (-3.5A)
None
 1.49A 6b6fA-3dwkA:
18.2		 6b6fA-3dwkA:
8.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dwk PENICILLIN-BINDING
PROTEIN 2

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		6 SER A 454
LYS A 583
THR A 584
GLY A 585
THR A 586
GLY A 587
 SO4  A  26 (-3.1A)
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.6A)
SO4  A  26 (-3.3A)
SO4  A  26 (-3.5A)
None
 0.64A 6b6fA-3dwkA:
18.2		 6b6fA-3dwkA:
8.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dwz BETA-LACTAMASE

(Mycobacterium
tuberculosis) 		PF13354
(Beta-lactamase2) 		12 CYH A  83
SER A  84
ILE A 117
SER A 142
PRO A 183
ASN A 186
LYS A 250
THR A 251
GLY A 252
THR A 253
GLY A 254
ASP A 255
 DWZ  A 400 (-4.9A)
DWZ  A 400 (-1.3A)
DWZ  A 400 (-4.0A)
DWZ  A 400 (-2.7A)
None
DWZ  A 400 ( 4.0A)
DWZ  A 400 ( 3.8A)
DWZ  A 400 (-3.5A)
DWZ  A 400 (-3.3A)
DWZ  A 400 (-4.1A)
None
None
 0.51A 6b6fA-3dwzA:
46.7		 6b6fA-3dwzA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hum PENICILLIN-BINDING
PROTEIN 4

(Staphylococcus
aureus) 		PF00768
(Peptidase_S11)
PF09211
(DUF1958) 		6 SER A  75
SER A 139
LYS A 259
THR A 260
GLY A 261
ASP A 264
 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
 0.64A 6b6fA-3humA:
22.5		 6b6fA-3humA:
11.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3if6 OXA-46 OXACILLINASE

(Pseudomonas
aeruginosa) 		PF00905
(Transpeptidase) 		5 SER C  72
SER C 120
LYS C 210
THR C 211
GLY C 212
 KCX  C  75 ( 2.7A)
KCX  C  75 ( 3.5A)
KCX  C  75 ( 4.4A)
None
None
 0.49A 6b6fA-3if6C:
18.2		 6b6fA-3if6C:
15.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l0z PUTATIVE
NICOTINATE-NUCLEOTID
E-DIMETHYLBENZIMIDAZ
OLE
PHOSPHORIBOSYLTRANSF
ERASE

(Methanocaldococcus
jannaschii) 		PF02277
(DBI_PRT) 		6 ILE A   6
PRO A 289
THR A 240
GLY A 239
THR A 266
GLY A 265
 None
 1.46A 6b6fA-3l0zA:
undetectable		 6b6fA-3l0zA:
14.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lez BETA-LACTAMASE

(Oceanobacillus
iheyensis) 		PF13354
(Beta-lactamase2) 		6 SER A  85
ASN A 183
LYS A 247
THR A 248
GLY A 249
GLY A 251
 EPE  A 305 (-3.4A)
None
EPE  A 305 (-3.1A)
EPE  A 305 (-3.6A)
EPE  A 305 (-3.4A)
None
 0.38A 6b6fA-3lezA:
40.2		 6b6fA-3lezA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mfd D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACB

(Bacillus
subtilis) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		5 SER A  60
SER A 115
LYS A 220
THR A 221
GLY A 222
 CIT  A   1 (-2.5A)
CIT  A   1 (-2.8A)
CIT  A   1 ( 3.7A)
CIT  A   1 (-3.7A)
CIT  A   1 (-3.3A)
 0.42A 6b6fA-3mfdA:
22.4		 6b6fA-3mfdA:
13.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p09 BETA-LACTAMASE

(Francisella
tularensis) 		PF13354
(Beta-lactamase2) 		9 CSS A  60
SER A  61
SER A 122
PRO A 159
ASN A 162
LYS A 226
THR A 227
GLY A 228
THR A 229
 None
SO4  A 288 (-3.1A)
SO4  A 288 (-2.7A)
None
None
SO4  A 288 (-3.5A)
SO4  A 288 (-3.6A)
SO4  A 288 (-3.3A)
SO4  A 288 (-3.4A)
 0.51A 6b6fA-3p09A:
38.8		 6b6fA-3p09A:
25.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p09 BETA-LACTAMASE

(Francisella
tularensis) 		PF13354
(Beta-lactamase2) 		6 CSS A 230
PRO A 159
ASN A 162
THR A 227
GLY A 228
THR A 229
 None
None
None
SO4  A 288 (-3.6A)
SO4  A 288 (-3.3A)
SO4  A 288 (-3.4A)
 1.41A 6b6fA-3p09A:
38.8		 6b6fA-3p09A:
25.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q7z BETA-LACTAMASE
REGULATORY PROTEIN
BLAR1

(Staphylococcus
aureus) 		PF00905
(Transpeptidase) 		7 SER A 389
SER A 437
LYS A 526
THR A 527
GLY A 528
THR A 529
GLY A 530
 BOU  A 584 (-1.4A)
BOU  A 584 (-2.8A)
BOU  A 584 (-3.3A)
BOU  A 584 (-3.6A)
BOU  A 584 (-3.7A)
BOU  A 584 (-3.6A)
BOU  A 584 ( 3.9A)
 0.55A 6b6fA-3q7zA:
17.5		 6b6fA-3q7zA:
14.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qhy BETA-LACTAMASE

(Bacillus
anthracis) 		PF13354
(Beta-lactamase2) 		6 SER A  70
SER A 130
ASN A 170
LYS A 234
GLY A 236
GLY A 238
 None
 0.41A 6b6fA-3qhyA:
41.0		 6b6fA-3qhyA:
23.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qnb OXACILLINASE

(Escherichia
coli) 		PF00905
(Transpeptidase) 		6 SER A  67
SER A 115
LYS A 205
THR A 206
GLY A 207
GLY A 209
 KCX  A  70 ( 2.7A)
KCX  A  70 ( 4.6A)
KCX  A  70 ( 4.7A)
SO4  A   4 (-2.9A)
None
None
 0.78A 6b6fA-3qnbA:
18.5		 6b6fA-3qnbA:
14.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rju BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE

(Yersinia pestis) 		PF00144
(Beta-lactamase) 		5 SER A  59
LYS A 299
THR A 300
GLY A 301
GLY A 303
 CIT  A 391 (-2.5A)
CIT  A 391 ( 4.4A)
CIT  A 391 (-3.4A)
CIT  A 391 (-3.3A)
None
 0.49A 6b6fA-3rjuA:
14.8		 6b6fA-3rjuA:
14.04
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.
3ue1 PENICILLIN-BINDING
PROTEIN 1A

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		6 SER A 434
SER A 487
LYS A 669
THR A 670
GLY A 671
THR A 672
 UE1  A 998 (-1.7A)
UE1  A 998 (-3.3A)
UE1  A 998 ( 3.8A)
UE1  A 998 (-3.4A)
UE1  A 998 (-3.4A)
UE1  A 998 (-3.6A)
 0.76A 6b6fA-3ue1A:
15.7		 6b6fA-3ue1A:
7.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ue3 SEPTUM FORMATION,
PENICILLIN BINDING
PROTEIN 3,
PEPTIDOGLYCAN
SYNTHETASE

(Acinetobacter
sp. ATCC 27244) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		6 SER A 336
SER A 390
LYS A 525
THR A 526
GLY A 527
THR A 528
 None
 0.89A 6b6fA-3ue3A:
16.5		 6b6fA-3ue3A:
9.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3upn PENICILLIN-BINDING
PROTEIN A

(Mycobacterium
tuberculosis) 		PF00905
(Transpeptidase) 		6 SER A 222
SER A 281
LYS A 424
THR A 425
GLY A 426
THR A 427
 IM2  A 800 (-1.3A)
IM2  A 800 (-3.0A)
IM2  A 800 ( 3.9A)
IM2  A 800 (-3.5A)
IM2  A 800 (-3.4A)
IM2  A 800 (-4.0A)
 1.01A 6b6fA-3upnA:
17.3		 6b6fA-3upnA:
14.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v39 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Bdellovibrio
bacteriovorus) 		PF02113
(Peptidase_S13) 		6 SER A  70
ILE A 157
SER A 251
LYS A 357
THR A 358
GLY A 359
 TAU  A 501 (-1.5A)
None
TAU  A 501 (-2.6A)
TAU  A 501 ( 4.3A)
None
TAU  A 501 (-3.5A)
 1.26A 6b6fA-3v39A:
16.7		 6b6fA-3v39A:
11.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w4q BETA-LACTAMASE

(Burkholderia
multivorans) 		PF13354
(Beta-lactamase2) 		10 CYH A  69
SER A  70
SER A 130
ASN A 170
LYS A 234
THR A 235
GLY A 236
THR A 237
GLY A 238
ASP A 240
 None
 0.43A 6b6fA-3w4qA:
40.8		 6b6fA-3w4qA:
17.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zdj ENCA BETA-LACTAMASE

(synthetic
construct) 		PF13354
(Beta-lactamase2) 		7 SER A  70
SER A 130
ASN A 170
LYS A 234
THR A 235
GLY A 236
GLY A 238
 SO4  A1291 (-3.4A)
SO4  A1291 (-3.1A)
None
SO4  A1291 (-3.3A)
SO4  A1291 (-3.6A)
SO4  A1291 (-3.3A)
None
 0.43A 6b6fA-3zdjA:
36.2		 6b6fA-3zdjA:
15.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zg8 PENICILLIN-BINDING
PROTEIN 4

(Listeria
monocytogenes) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		5 SER B 394
SER B 449
LYS B 575
THR B 576
GLY B 577
 AIX  B 800 (-0.2A)
AIX  B 800 (-2.4A)
AIX  B 800 ( 4.0A)
AIX  B 800 (-3.4A)
AIX  B 800 ( 3.7A)
 0.60A 6b6fA-3zg8B:
16.5		 6b6fA-3zg8B:
9.30
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.
3zny CTX-M-12A ENZYME

(Klebsiella
pneumoniae) 		PF13354
(Beta-lactamase2) 		9 CYH A  69
SER A  70
SER A 130
PRO A 167
ASN A 170
LYS A 234
THR A 235
GLY A 236
GLY A 238
 None
 0.44A 6b6fA-3znyA:
41.2		 6b6fA-3znyA:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c6y BETA-LACTAMASE

(synthetic
construct) 		PF13354
(Beta-lactamase2) 		10 CYH A  69
SER A  70
SER A 130
PRO A 167
ASN A 170
LYS A 234
THR A 235
GLY A 236
THR A 237
GLY A 238
 None
PEG  A 307 (-2.4A)
PEG  A 307 (-2.4A)
GOL  A 306 (-4.0A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-3.0A)
PEG  A 307 (-2.7A)
PEG  A 307 (-3.9A)
None
 0.43A 6b6fA-4c6yA:
40.0		 6b6fA-4c6yA:
25.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c75 BETA-LACTAMASE

(synthetic
construct) 		PF13354
(Beta-lactamase2) 		10 CYH A  69
SER A  70
SER A 130
PRO A 167
ASN A 170
LYS A 234
THR A 235
GLY A 236
THR A 237
GLY A 238
 None
NA  A 294 ( 2.5A)
SO4  A 291 (-2.8A)
None
None
SO4  A 291 (-3.4A)
SO4  A 291 (-3.8A)
NA  A 294 ( 3.2A)
SO4  A 291 ( 3.4A)
None
 0.49A 6b6fA-4c75A:
39.5		 6b6fA-4c75A:
24.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d2o PER-2 BETA-LACTAMASE

(Citrobacter
freundii) 		PF13354
(Beta-lactamase2) 		6 SER A  70
SER A 130
LYS A 234
THR A 235
GLY A 236
THR A 237
 None
 0.66A 6b6fA-4d2oA:
30.8		 6b6fA-4d2oA:
13.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1

(Serratia
fonticola) 		PF13354
(Beta-lactamase2) 		8 CSS A  69
SER A  70
SER A 130
ASN A 170
LYS A 234
THR A 235
GLY A 236
THR A 237
 None
MER  A 401 (-1.3A)
MER  A 401 (-2.8A)
MER  A 401 (-2.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.5A)
MER  A 401 (-3.6A)
MER  A 401 (-3.7A)
 0.48A 6b6fA-4ev4A:
39.0		 6b6fA-4ev4A:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1

(Serratia
fonticola) 		PF13354
(Beta-lactamase2) 		6 SER A  70
SER A 130
PRO A 104
LYS A 234
THR A 235
THR A 237
 MER  A 401 (-1.3A)
MER  A 401 (-2.8A)
None
MER  A 401 (-3.0A)
MER  A 401 (-3.5A)
MER  A 401 (-3.7A)
 1.43A 6b6fA-4ev4A:
39.0		 6b6fA-4ev4A:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ewf BETA-LACTAMASE

(Sphaerobacter
thermophilus) 		PF13354
(Beta-lactamase2) 		5 SER A  49
SER A 110
LYS A 213
THR A 214
GLY A 215
 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)
 0.48A 6b6fA-4ewfA:
30.5		 6b6fA-4ewfA:
15.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fsf PENICILLIN-BINDING
PROTEIN 3

(Pseudomonas
aeruginosa) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 SER A 294
SER A 349
LYS A 484
GLY A 486
THR A 487
 0W0  A 601 (-1.4A)
0W0  A 601 (-3.1A)
0W0  A 601 (-3.0A)
0W0  A 601 (-3.4A)
0W0  A 601 (-3.7A)
 0.58A 6b6fA-4fsfA:
17.1		 6b6fA-4fsfA:
12.79
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.
4gn2 OXACILLINASE

(Pseudomonas
aeruginosa) 		PF00905
(Transpeptidase) 		7 SER A  63
SER A 112
LYS A 208
THR A 209
GLY A 210
THR A 211
GLY A 212
 KCX  A  66 ( 2.9A)
KCX  A  66 ( 3.5A)
KCX  A  66 ( 4.5A)
None
None
None
None
 0.50A 6b6fA-4gn2A:
17.0		 6b6fA-4gn2A:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hes BETA-LACTAMASE CLASS
A-LIKE PROTEIN

(Veillonella
parvula) 		PF13354
(Beta-lactamase2) 		5 SER A  56
SER A 117
LYS A 217
THR A 218
GLY A 219
 GOL  A 301 (-3.0A)
GOL  A 301 (-2.7A)
GOL  A 301 ( 4.6A)
GOL  A 301 (-3.7A)
GOL  A 301 (-3.5A)
 0.53A 6b6fA-4hesA:
27.5		 6b6fA-4hesA:
16.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ied CLASS D
BETA-LACTAMASE

(Fusobacterium
nucleatum) 		PF00905
(Transpeptidase) 		5 SER A  57
SER A 106
LYS A 196
THR A 197
GLY A 198
 KCX  A  60 ( 2.7A)
KCX  A  60 ( 3.4A)
KCX  A  60 ( 4.5A)
None
None
 0.48A 6b6fA-4iedA:
19.1		 6b6fA-4iedA:
15.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k0x BETA-LACTAMASE

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase) 		6 SER A  79
SER A 126
LYS A 216
THR A 217
GLY A 218
ASP A 222
 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)
None
 0.79A 6b6fA-4k0xA:
18.9		 6b6fA-4k0xA:
16.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oon PENICILLIN-BINDING
PROTEIN 1A

(Pseudomonas
aeruginosa) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		6 SER A 461
SER A 520
LYS A 695
THR A 696
GLY A 697
THR A 698
 2U4  A 901 (-1.3A)
2U4  A 901 (-3.6A)
2U4  A 901 ( 4.3A)
2U4  A 901 (-3.7A)
2U4  A 901 (-3.7A)
2U4  A 901 (-3.8A)
 0.74A 6b6fA-4oonA:
16.1		 6b6fA-4oonA:
7.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ovd PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Atopobium
parvulum) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		6 SER A 305
SER A 361
LYS A 500
THR A 501
GLY A 502
GLY A 504
 CA  A 601 (-3.4A)
CA  A 601 ( 3.8A)
CA  A 601 ( 4.1A)
CA  A 601 (-4.0A)
CA  A 601 ( 4.2A)
None
 1.12A 6b6fA-4ovdA:
16.8		 6b6fA-4ovdA:
9.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ovd PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Atopobium
parvulum) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		6 SER A 361
LYS A 500
THR A 501
GLY A 502
THR A 503
GLY A 504
 CA  A 601 ( 3.8A)
CA  A 601 ( 4.1A)
CA  A 601 (-4.0A)
CA  A 601 ( 4.2A)
None
None
 1.02A 6b6fA-4ovdA:
16.8		 6b6fA-4ovdA:
9.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ppr PENICILLIN-BINDING
PROTEIN DACB1

(Mycobacterium
tuberculosis) 		PF00768
(Peptidase_S11) 		5 SER A 121
SER A 176
LYS A 282
THR A 283
GLY A 284
 MER  A 400 (-1.3A)
MER  A 400 (-2.5A)
MER  A 400 (-3.0A)
MER  A 400 (-3.6A)
MER  A 400 (-3.1A)
 0.48A 6b6fA-4pprA:
20.0		 6b6fA-4pprA:
13.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ra7 PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Atopobium
parvulum) 		PF00905
(Transpeptidase) 		6 SER A 682
SER A 737
LYS A 890
THR A 891
GLY A 892
ASP A 895
 NXU  A1001 (-1.3A)
NXU  A1001 (-3.2A)
NXU  A1001 (-3.5A)
NXU  A1001 (-3.3A)
NXU  A1001 (-3.4A)
NXU  A1001 (-3.1A)
 0.64A 6b6fA-4ra7A:
16.3		 6b6fA-4ra7A:
13.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ra7 PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Atopobium
parvulum) 		PF00905
(Transpeptidase) 		6 SER A 682
SER A 737
LYS A 890
THR A 891
GLY A 892
THR A 893
 NXU  A1001 (-1.3A)
NXU  A1001 (-3.2A)
NXU  A1001 (-3.5A)
NXU  A1001 (-3.3A)
NXU  A1001 (-3.4A)
NXU  A1001 (-3.9A)
 0.68A 6b6fA-4ra7A:
16.3		 6b6fA-4ra7A:
13.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Mycobacterium
tuberculosis) 		PF00768
(Peptidase_S11) 		6 SER A  69
SER A 124
LYS A 230
THR A 231
GLY A 232
ASP A 167
 None
 1.46A 6b6fA-4ryeA:
21.6		 6b6fA-4ryeA:
15.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yfm BETA-LACTAMASE

(Mycobacteroides
abscessus) 		PF13354
(Beta-lactamase2) 		8 CYH A  70
SER A  71
SER A 131
ASN A 171
LYS A 233
THR A 234
GLY A 235
GLY A 237
 None
ACT  A 301 (-3.5A)
ACT  A 301 (-2.9A)
None
ACT  A 301 (-3.4A)
ACT  A 301 (-3.5A)
ACT  A 301 (-3.3A)
None
 0.43A 6b6fA-4yfmA:
39.1		 6b6fA-4yfmA:
17.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2

(Legionella
pneumophila) 		PF00905
(Transpeptidase) 		6 SER A 400
SER A 454
LYS A 568
THR A 569
GLY A 570
THR A 571
 NHE  A 901 (-3.2A)
NHE  A 901 (-2.9A)
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
NHE  A 901 (-3.6A)
NHE  A 901 (-3.8A)
 0.65A 6b6fA-4ztkA:
16.0		 6b6fA-4ztkA:
11.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aqa OFF7_DB04V3

(synthetic
construct) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13354
(Beta-lactamase2) 		6 SER A 200
SER A 260
ASN A 300
LYS A 364
GLY A 366
GLY A 368
 None
 0.48A 6b6fA-5aqaA:
35.1		 6b6fA-5aqaA:
11.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aqa OFF7_DB04V3

(synthetic
construct) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13354
(Beta-lactamase2) 		6 SER A 200
SER A 260
PRO A 297
ASN A 300
GLY A 366
GLY A 368
 None
 0.65A 6b6fA-5aqaA:
35.1		 6b6fA-5aqaA:
11.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cer BD0816

(Bdellovibrio
bacteriovorus) 		PF02113
(Peptidase_S13) 		5 SER A 239
LYS A 345
THR A 346
GLY A 347
THR A 348
 None
 0.44A 6b6fA-5cerA:
17.6		 6b6fA-5cerA:
11.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ctm BETA-LACTAMASE

(Bacillus
pumilus) 		PF00905
(Transpeptidase) 		5 SER A 101
LYS A 239
THR A 240
GLY A 241
GLY A 243
 KCX  A 104 (-2.2A)
FLC  A 301 (-3.0A)
FLC  A 301 (-3.8A)
FLC  A 301 (-3.2A)
None
 0.43A 6b6fA-5ctmA:
17.6		 6b6fA-5ctmA:
13.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cxw PENICILLIN-BINDING
PROTEIN 1A

(Mycobacterium
tuberculosis) 		PF00905
(Transpeptidase) 		6 SER A 345
SER A 398
LYS A 539
THR A 540
GLY A 541
THR A 542
 35P  A 702 (-1.3A)
35P  A 702 (-2.9A)
35P  A 702 (-3.3A)
35P  A 702 (-3.5A)
35P  A 702 (-3.5A)
35P  A 702 (-3.7A)
 0.54A 6b6fA-5cxwA:
17.3		 6b6fA-5cxwA:
13.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dwm PHOSPHINOTHRICIN
N-ACETYLTRANSFERASE

(Brucella ovis) 		PF13420
(Acetyltransf_4) 		6 SER A  29
ILE A  32
PRO A  34
GLY A  28
THR A  27
GLY A  26
 None
 1.10A 6b6fA-5dwmA:
undetectable		 6b6fA-5dwmA:
17.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e2e BETA-LACTAMASE

(Yersinia
enterocolitica) 		PF13354
(Beta-lactamase2) 		10 CYH A  46
SER A  47
SER A 107
PRO A 144
ASN A 147
LYS A 211
THR A 212
GLY A 213
GLY A 215
ASP A 216
 None
 0.60A 6b6fA-5e2eA:
40.2		 6b6fA-5e2eA:
14.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e2f BETA-LACTAMASE YBXI

(Bacillus
subtilis) 		PF00905
(Transpeptidase) 		5 SER A  76
LYS A 214
THR A 215
GLY A 216
THR A 217
 ALY  A  79 ( 2.4A)
EDO  A 303 ( 4.4A)
EDO  A 303 (-3.7A)
EDO  A 303 (-3.5A)
EDO  A 303 (-3.8A)
 0.32A 6b6fA-5e2fA:
17.3		 6b6fA-5e2fA:
14.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e2h BETA-LACTAMASE

(Mycolicibacterium
smegmatis) 		PF00144
(Beta-lactamase) 		5 SER A  58
LYS A 307
THR A 308
GLY A 309
ASP A 312
 None
 0.41A 6b6fA-5e2hA:
15.3		 6b6fA-5e2hA:
15.58
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.
5e43 BETA-LACTAMASE

(Streptosporangium
roseum) 		PF13354
(Beta-lactamase2) 		7 SER A  70
SER A 131
ASN A 171
LYS A 235
THR A 236
GLY A 237
THR A 238
 ACT  A 311 (-3.2A)
ACT  A 311 (-3.0A)
None
ACT  A 311 (-3.3A)
ACT  A 311 (-3.7A)
ACT  A 311 (-3.2A)
ACT  A 311 (-3.8A)
 0.44A 6b6fA-5e43A:
40.4		 6b6fA-5e43A:
15.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eoe BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		8 CSS A  61
SER A  62
SER A 123
PRO A 160
ASN A 163
LYS A 227
THR A 228
GLY A 229
 None
CIT  A 303 (-2.8A)
CIT  A 303 (-2.5A)
None
None
CIT  A 303 (-3.5A)
CIT  A 303 (-3.6A)
CIT  A 303 (-3.5A)
 0.52A 6b6fA-5eoeA:
38.8		 6b6fA-5eoeA:
16.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f83 BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		7 SER A  64
SER A 125
PRO A 162
LYS A 229
THR A 230
GLY A 231
THR A 232
 IM2  A 301 (-1.4A)
IM2  A 301 (-2.7A)
None
IM2  A 301 (-3.3A)
IM2  A 301 (-3.6A)
IM2  A 301 (-3.3A)
IM2  A 301 (-4.0A)
 0.72A 6b6fA-5f83A:
37.9		 6b6fA-5f83A:
15.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gl9 BETA-LACTAMASE

(Burkholderia
thailandensis) 		PF13354
(Beta-lactamase2) 		10 CYH A  69
SER A  70
SER A 130
ASN A 170
LYS A 234
THR A 235
GLY A 236
THR A 237
GLY A 238
ASP A 240
 None
 0.39A 6b6fA-5gl9A:
40.7		 6b6fA-5gl9A:
18.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hlb PENICILLIN-BINDING
PROTEIN 1B

(Escherichia
coli) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF14814
(UB2H) 		6 SER A 510
SER A 572
LYS A 698
THR A 699
GLY A 700
THR A 701
 AZR  A 902 (-1.4A)
AZR  A 902 ( 3.7A)
AZR  A 902 ( 4.5A)
AZR  A 902 (-3.5A)
AZR  A 902 (-3.3A)
AZR  A 902 (-4.3A)
 0.75A 6b6fA-5hlbA:
17.5		 6b6fA-5hlbA:
8.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hw3 BETA-LACTAMASE

(Burkholderia
vietnamiensis) 		PF13354
(Beta-lactamase2) 		6 CYH A  69
SER A  70
PRO A 168
ASN A 171
GLY A 235
THR A 236
 None
SO4  A 301 (-2.7A)
None
ACT  A 310 (-4.0A)
SO4  A 301 (-3.4A)
SO4  A 301 (-3.5A)
 0.36A 6b6fA-5hw3A:
38.0		 6b6fA-5hw3A:
40.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hx9 BETA-LACTAMASE

(Burkholderia
vietnamiensis) 		PF13354
(Beta-lactamase2) 		7 CYH A  69
PRO A 167
ASN A 170
LYS A 234
GLY A 236
THR A 237
GLY A 238
 None
None
None
EDO  A 303 (-2.6A)
None
None
None
 0.62A 6b6fA-5hx9A:
38.3		 6b6fA-5hx9A:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ihv BETA-LACTAMASE

(Burkholderia
ambifaria) 		PF13354
(Beta-lactamase2) 		7 CYH A  46
PRO A 144
ASN A 147
LYS A 211
GLY A 213
THR A 214
GLY A 215
 None
None
None
EDO  A 302 (-2.8A)
None
None
None
 0.66A 6b6fA-5ihvA:
38.4		 6b6fA-5ihvA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iy2 BETA-LACTAMASE
OXA-143

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase) 		6 SER A  81
SER A 128
LYS A 218
GLY A 220
GLY A 222
ASP A 224
 KCX  A  84 (-2.7A)
GOL  A 301 (-3.6A)
GOL  A 301 ( 4.7A)
GOL  A 301 (-3.3A)
None
None
 1.25A 6b6fA-5iy2A:
19.2		 6b6fA-5iy2A:
17.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kzh BETA-LACTAMASE

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase) 		6 SER A  80
SER A 127
LYS A 217
GLY A 219
GLY A 221
ASP A 223
 FMT  A 301 (-2.5A)
FMT  A 301 (-3.3A)
KCX  A  83 ( 4.9A)
FMT  A 301 (-3.3A)
None
None
 1.17A 6b6fA-5kzhA:
19.5		 6b6fA-5kzhA:
17.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ll7 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 8 CSS A  69
SER A  70
SER A 130
ASN A 170
LYS A 234
THR A 235
GLY A 236
THR A 237
 None
6YV  A 301 (-1.7A)
6YV  A 301 (-2.6A)
6YV  A 301 (-2.9A)
6YV  A 301 (-3.6A)
6YV  A 301 (-3.6A)
6YV  A 301 ( 4.0A)
6YV  A 301 (-3.6A)
 0.61A 6b6fA-5ll7A:
39.6		 6b6fA-5ll7A:
40.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tfq BETA-LACTAMASE

(Bacteroides
cellulosilyticus) 		PF13354
(Beta-lactamase2) 		6 SER A  48
SER A 112
LYS A 215
THR A 216
GLY A 217
ASP A 220
 PO4  A 301 (-3.8A)
PO4  A 301 (-2.6A)
PO4  A 301 (-3.2A)
PO4  A 301 ( 3.6A)
PO4  A 301 (-3.3A)
None
 0.75A 6b6fA-5tfqA:
30.9		 6b6fA-5tfqA:
11.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tro PENICILLIN-BINDING
PROTEIN 1

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		6 SER A 314
SER A 368
LYS A 513
THR A 514
GLY A 515
THR A 516
 None
 0.52A 6b6fA-5troA:
16.9		 6b6fA-5troA:
10.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ty7 PENICILLIN-BINDING
PROTEIN 4

(Staphylococcus
aureus) 		no annotation 6 SER A  75
SER A 139
LYS A 259
THR A 260
GLY A 261
ASP A 264
 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)
NFF  A 401 ( 4.3A)
 0.66A 6b6fA-5ty7A:
20.5		 6b6fA-5ty7A:
19.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vpq BETA-LACTAMASE

(Paraburkholderia
phymatum) 		PF13354
(Beta-lactamase2) 		9 CYH A  57
SER A  58
SER A 119
PRO A 156
ASN A 159
THR A 226
GLY A 227
GLY A 229
ASP A 230
 None
None
None
None
None
None
None
EDO  A 304 (-3.4A)
EDO  A 304 (-3.7A)
 0.62A 6b6fA-5vpqA:
39.0		 6b6fA-5vpqA:
16.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x5g BETA-LACTAMASE

(Serratia
marcescens) 		PF13354
(Beta-lactamase2) 		6 SER A  56
SER A 120
LYS A 224
THR A 225
GLY A 226
ASP A 229
 OP0  A 305 (-1.5A)
OP0  A 305 (-2.7A)
OP0  A 305 (-3.4A)
OP0  A 305 (-3.7A)
OP0  A 305 (-3.2A)
OP0  A 305 (-3.6A)
 0.70A 6b6fA-5x5gA:
32.3		 6b6fA-5x5gA:
15.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zqe -

(-) 		no annotation 6 SER A  58
SER A 118
LYS A 222
THR A 223
GLY A 224
ASP A 227
 CES  A 301 (-1.3A)
CES  A 301 ( 3.7A)
None
CES  A 301 (-3.6A)
CES  A 301 (-3.2A)
None
 0.75A 6b6fA-5zqeA:
21.6		 6b6fA-5zqeA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6bu3 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 9 CYH A  69
SER A  70
SER A 130
PRO A 167
ASN A 170
LYS A 234
THR A 235
GLY A 236
GLY A 238
 None
3GK  A 301 ( 3.8A)
3GK  A 301 (-2.7A)
3GK  A 301 (-4.1A)
3GK  A 301 (-3.9A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.7A)
3GK  A 301 (-3.4A)
3GK  A 301 (-3.6A)
 0.49A 6b6fA-6bu3A:
41.1		 6b6fA-6bu3A:
33.75