SIMILAR PATTERNS OF AMINO ACIDS FOR 4EUZ_A_MEMA401

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) 		6 LYS A  73
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
 None
 0.41A 4euzA-1alqA:
27.3		 4euzA-1alqA:
29.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bsg BETA LACTAMASE

(Streptomyces
albus) 		PF13354
(Beta-lactamase2) 		8 LYS A  73
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
 None
 0.34A 4euzA-1bsgA:
41.0		 4euzA-1bsgA:
44.21
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) 		10 LYS A  73
HIS A 105
SER A 130
ASN A 132
LEU A 167
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
 None
 0.26A 4euzA-1bueA:
45.6		 4euzA-1bueA:
60.93
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) 		10 LYS A  73
HIS A 105
SER A 130
ASN A 132
LEU A 167
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
 None
 0.24A 4euzA-1dy6A:
46.3		 4euzA-1dy6A:
60.70
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.
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		8 LYS A  73
SER A 130
ASN A 132
THR A 216
LYS A 234
THR A 235
GLY A 236
THR A 237
 None
SO4  A 500 (-2.6A)
None
SO4  A 500 ( 4.0A)
SO4  A 500 (-3.2A)
SO4  A 500 (-3.8A)
SO4  A 500 (-3.5A)
SO4  A 500 (-3.5A)
 0.36A 4euzA-1e25A:
32.0		 4euzA-1e25A:
28.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hzo BETA-LACTAMASE

(Proteus
vulgaris) 		PF13354
(Beta-lactamase2) 		8 LYS A  73
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
 None
MES  A1000 (-2.7A)
None
None
MES  A1000 (-3.7A)
MES  A1000 (-2.9A)
MES  A1000 (-3.7A)
MES  A1000 (-3.1A)
 0.47A 4euzA-1hzoA:
42.9		 4euzA-1hzoA:
48.21
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) 		7 LYS A  73
SER A 130
ASN A 132
THR A 216
LYS A 234
THR A 235
GLY A 236
 CFX  A1300 (-2.6A)
CFX  A1300 (-3.1A)
CFX  A1300 (-3.0A)
CFX  A1300 (-3.2A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.6A)
CFX  A1300 (-3.3A)
 0.34A 4euzA-1i2wA:
40.7		 4euzA-1i2wA:
45.77
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) 		9 LYS A  73
HIS A 105
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
 SO4  A1002 ( 4.9A)
None
SO4  A1002 (-3.1A)
None
None
SO4  A1002 ( 4.8A)
SO4  A1002 (-3.6A)
SO4  A1002 (-3.6A)
SO4  A1002 (-3.2A)
 0.43A 4euzA-1n4oA:
38.6		 4euzA-1n4oA:
40.88
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 LYS A  73
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 None
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
 0.64A 4euzA-1n9bA:
35.2		 4euzA-1n9bA:
37.50
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.
1nrf REGULATORY PROTEIN
BLAR1

(Bacillus
licheniformis) 		PF00905
(Transpeptidase) 		6 LYS A 405
SER A 450
LYS A 539
THR A 540
GLY A 541
THR A 542
 None
 0.73A 4euzA-1nrfA:
18.7		 4euzA-1nrfA:
24.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w5d PENICILLIN-BINDING
PROTEIN

(Bacillus
subtilis) 		PF02113
(Peptidase_S13) 		7 LYS A  55
SER A 299
ASN A 301
THR A 394
LYS A 411
THR A 412
GLY A 413
 None
 0.49A 4euzA-1w5dA:
19.7		 4euzA-1w5dA:
23.33
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.
1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Streptococcus
pneumoniae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		8 LYS A  59
SER A 119
ASN A 121
THR A 221
LYS A 239
THR A 240
GLY A 241
THR A 242
 None
SO4  A 464 (-3.4A)
None
SO4  A 464 ( 4.0A)
SO4  A 464 (-3.5A)
SO4  A 464 (-4.0A)
SO4  A 464 ( 3.8A)
SO4  A 464 (-4.0A)
 0.53A 4euzA-1xp4A:
20.5		 4euzA-1xp4A:
23.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Streptococcus
pneumoniae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		7 SER A 119
ASN A 121
LEU A 162
THR A 221
THR A 240
GLY A 241
THR A 242
 SO4  A 464 (-3.4A)
None
None
SO4  A 464 ( 4.0A)
SO4  A 464 (-4.0A)
SO4  A 464 ( 3.8A)
SO4  A 464 (-4.0A)
 0.64A 4euzA-1xp4A:
20.5		 4euzA-1xp4A:
23.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zg4 BETA-LACTAMASE TEM

(Escherichia
coli) 		PF13354
(Beta-lactamase2) 		6 LYS A  73
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
 None
 0.41A 4euzA-1zg4A:
37.5		 4euzA-1zg4A:
36.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c6w PENICILLIN-BINDING
PROTEIN 1A

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		8 LYS B 373
SER B 428
ASN B 430
THR B 543
LYS B 557
THR B 558
GLY B 559
THR B 560
 None
CL  B 704 (-3.4A)
None
CL  B 704 ( 4.8A)
None
CL  B 704 (-4.5A)
CL  B 704 ( 4.0A)
CL  B 704 ( 4.8A)
 0.93A 4euzA-2c6wB:
16.3		 4euzA-2c6wB:
22.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2cc1 BETA-LACTAMASE

(Mycolicibacterium
fortuitum) 		PF13354
(Beta-lactamase2) 		8 LYS A  73
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
 None
 0.36A 4euzA-2cc1A:
39.3		 4euzA-2cc1A:
41.49
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.
2exa PENICILLIN-BINDING
PROTEIN 4

(Escherichia
coli) 		PF02113
(Peptidase_S13) 		6 LYS A  65
SER A 306
ASN A 308
LYS A 417
THR A 418
GLY A 419
 DGF  A 501 ( 4.0A)
DGF  A 501 (-3.3A)
DGF  A 501 (-3.0A)
None
None
DGF  A 501 (-3.4A)
 0.38A 4euzA-2exaA:
16.4		 4euzA-2exaA:
21.60
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.
2exa PENICILLIN-BINDING
PROTEIN 4

(Escherichia
coli) 		PF02113
(Peptidase_S13) 		6 SER A 306
ASN A 308
LEU A 359
LYS A 417
THR A 418
GLY A 419
 DGF  A 501 (-3.3A)
DGF  A 501 (-3.0A)
DGF  A 501 (-4.2A)
None
None
DGF  A 501 (-3.4A)
 0.67A 4euzA-2exaA:
16.4		 4euzA-2exaA:
21.60
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) 		7 LYS B 463
SER B 516
ASN B 518
THR B 629
LYS B 651
THR B 652
GLY B 653
 None
 0.73A 4euzA-2fffB:
16.6		 4euzA-2fffB:
22.12
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.
2fff PENICILLIN-BINDING
PROTEIN 1B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		7 LYS B 463
SER B 516
THR B 629
LYS B 651
THR B 652
GLY B 653
THR B 654
 None
 0.73A 4euzA-2fffB:
16.6		 4euzA-2fffB:
22.12
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.
2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN

(Staphylococcus
aureus) 		PF00905
(Transpeptidase) 		7 LYS A 394
SER A 439
ASN A 441
LYS A 528
THR A 529
GLY A 530
THR A 531
 GOL  A 605 ( 3.9A)
GOL  A 604 (-2.6A)
GOL  A 605 (-2.8A)
GOL  A 604 (-2.9A)
GOL  A 604 (-3.7A)
GOL  A 605 ( 3.2A)
GOL  A 604 ( 3.6A)
 0.58A 4euzA-2iwbA:
18.8		 4euzA-2iwbA:
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.
2j7v TLL2115 PROTEIN

(Synechococcus
elongatus) 		PF13354
(Beta-lactamase2) 		7 LYS A  64
SER A 122
ASN A 124
THR A 202
LYS A 219
THR A 220
GLY A 221
 None
 0.83A 4euzA-2j7vA:
32.4		 4euzA-2j7vA:
26.13
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.
2jch PENICILLIN-BINDING
PROTEIN 1B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		8 LYS A 463
SER A 516
ASN A 518
THR A 629
LYS A 651
THR A 652
GLY A 653
THR A 654
 PL7  A1793 ( 4.0A)
PL7  A1793 (-3.0A)
PL7  A1793 (-3.2A)
PL7  A1793 ( 4.1A)
PL7  A1793 ( 4.1A)
PL7  A1793 (-3.9A)
PL7  A1793 (-3.3A)
PL7  A1793 (-4.1A)
 0.83A 4euzA-2jchA:
15.6		 4euzA-2jchA:
19.11
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.
2v2f PENICILLIN BINDING
PROTEIN 1A

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		7 LYS F 373
SER F 428
ASN F 430
THR F 543
LYS F 557
THR F 558
GLY F 559
 None
MES  F1653 (-3.1A)
None
MES  F1653 (-3.7A)
MES  F1653 ( 4.0A)
MES  F1653 (-3.8A)
MES  F1653 (-3.6A)
 0.85A 4euzA-2v2fF:
17.7		 4euzA-2v2fF:
24.08
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.
2v2f PENICILLIN BINDING
PROTEIN 1A

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		7 LYS F 373
SER F 428
THR F 543
LYS F 557
THR F 558
GLY F 559
THR F 560
 None
MES  F1653 (-3.1A)
MES  F1653 (-3.7A)
MES  F1653 ( 4.0A)
MES  F1653 (-3.8A)
MES  F1653 (-3.6A)
MES  F1653 (-3.6A)
 0.95A 4euzA-2v2fF:
17.7		 4euzA-2v2fF:
24.08
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.
2wae PENICILLIN-BINDING
PROTEIN 2B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		7 LYS A 389
SER A 443
ASN A 445
THR A 600
LYS A 615
THR A 616
GLY A 617
 None
 0.45A 4euzA-2waeA:
15.7		 4euzA-2waeA:
18.12
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.
2wuq BETA-LACTAMASE
REGULATORY PROTEIN
BLAB

(Streptomyces
cacaoi) 		PF13354
(Beta-lactamase2) 		6 LYS A  50
SER A 109
LYS A 254
THR A 255
GLY A 256
THR A 257
 None
 0.39A 4euzA-2wuqA:
30.9		 4euzA-2wuqA:
23.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wyx BETA-LACTAMSE TOHO-1

(Escherichia
coli) 		PF13354
(Beta-lactamase2) 		8 LYS A  73
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
 None
 0.41A 4euzA-2wyxA:
41.9		 4euzA-2wyxA:
47.35
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.
2xfs ORF12

(Streptomyces
clavuligerus) 		PF13354
(Beta-lactamase2) 		6 ALA A 173
LYS A 176
SER A 234
ASN A 236
LYS A 375
GLY A 377
 J01  A 600 ( 4.0A)
None
J01  A 600 (-3.4A)
None
J01  A 600 ( 4.4A)
J01  A 600 ( 3.8A)
 0.69A 4euzA-2xfsA:
21.5		 4euzA-2xfsA:
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.
2z2m PENICILLIN-BINDING
PROTEIN 2X

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		7 LYS B 340
SER B 395
ASN B 397
THR B 526
LYS B 547
GLY B 549
THR B 550
 CDS  B 901 ( 4.2A)
CDS  B 901 ( 3.2A)
CDS  B 901 ( 3.0A)
CDS  B 901 ( 4.1A)
CDS  B 901 ( 3.9A)
CDS  B 901 ( 3.4A)
CDS  B 901 ( 3.6A)
 0.64A 4euzA-2z2mB:
16.6		 4euzA-2z2mB:
24.50
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.
3a3i PENICILLIN-BINDING
PROTEIN 4

(Haemophilus
influenzae) 		PF02113
(Peptidase_S13) 		7 LYS A  72
SER A 310
ASN A 312
THR A 401
LYS A 420
THR A 421
GLY A 422
 AIX  A 501 ( 4.0A)
AIX  A 501 (-2.8A)
AIX  A 501 (-3.3A)
AIX  A 501 ( 4.0A)
AIX  A 501 ( 3.8A)
AIX  A 501 (-3.4A)
AIX  A 501 (-3.4A)
 0.62A 4euzA-3a3iA:
19.4		 4euzA-3a3iA:
20.55
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 LYS A  73
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
 MER  A 301 ( 3.8A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-2.6A)
MER  A 301 (-3.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.5A)
MER  A 301 (-3.0A)
 0.49A 4euzA-3bfgA:
42.7		 4euzA-3bfgA:
51.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3byd BETA-LACTAMASE OXY-1

(Klebsiella
oxytoca) 		PF13354
(Beta-lactamase2) 		8 LYS A  76
SER A 133
ASN A 135
ASN A 173
THR A 219
LYS A 237
THR A 238
GLY A 239
 SO4  A 301 ( 4.9A)
SO4  A 301 (-2.8A)
None
None
SO4  A 301 ( 4.0A)
SO4  A 301 (-3.1A)
SO4  A 301 (-3.9A)
SO4  A 301 (-3.3A)
 0.34A 4euzA-3bydA:
42.9		 4euzA-3bydA:
49.12
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.
3dwk PENICILLIN-BINDING
PROTEIN 2

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		6 LYS A 401
SER A 454
ASN A 456
LYS A 583
THR A 584
GLY A 585
 SO4  A  26 ( 4.8A)
SO4  A  26 (-3.1A)
None
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.6A)
SO4  A  26 (-3.3A)
 0.61A 4euzA-3dwkA:
17.8		 4euzA-3dwkA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dwk PENICILLIN-BINDING
PROTEIN 2

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		6 LYS A 401
SER A 454
LYS A 583
THR A 584
GLY A 585
THR A 586
 SO4  A  26 ( 4.8A)
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)
 0.70A 4euzA-3dwkA:
17.8		 4euzA-3dwkA:
19.29
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) 		8 LYS A  87
SER A 142
ASN A 186
THR A 232
LYS A 250
THR A 251
GLY A 252
THR A 253
 DWZ  A 400 (-2.6A)
DWZ  A 400 (-2.7A)
DWZ  A 400 ( 4.0A)
DWZ  A 400 ( 4.5A)
DWZ  A 400 ( 3.8A)
DWZ  A 400 (-3.5A)
DWZ  A 400 (-3.3A)
DWZ  A 400 (-4.1A)
 0.35A 4euzA-3dwzA:
39.7		 4euzA-3dwzA:
43.57
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.
3hum PENICILLIN-BINDING
PROTEIN 4

(Staphylococcus
aureus) 		PF00768
(Peptidase_S11)
PF09211
(DUF1958) 		6 LYS A  78
SER A 139
ASN A 141
LYS A 259
THR A 260
GLY A 261
 None
CEW  A 501 (-3.4A)
None
CEW  A 501 ( 4.4A)
CEW  A 501 ( 4.3A)
CEW  A 501 (-3.1A)
 0.66A 4euzA-3humA:
22.9		 4euzA-3humA:
21.94
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) 		7 LYS A  88
ASN A 145
ASN A 183
THR A 229
LYS A 247
THR A 248
GLY A 249
 None
None
None
EPE  A 305 ( 3.9A)
EPE  A 305 (-3.1A)
EPE  A 305 (-3.6A)
EPE  A 305 (-3.4A)
 0.38A 4euzA-3lezA:
40.5		 4euzA-3lezA:
43.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lez BETA-LACTAMASE

(Oceanobacillus
iheyensis) 		PF13354
(Beta-lactamase2) 		6 SER A 143
ASN A 145
THR A 229
LYS A 247
THR A 248
GLY A 249
 EPE  A 305 (-2.5A)
None
EPE  A 305 ( 3.9A)
EPE  A 305 (-3.1A)
EPE  A 305 (-3.6A)
EPE  A 305 (-3.4A)
 0.66A 4euzA-3lezA:
40.5		 4euzA-3lezA:
43.48
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.
3mfd D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACB

(Bacillus
subtilis) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		6 LYS A  63
SER A 115
ASN A 117
LYS A 220
THR A 221
GLY A 222
 CIT  A   1 ( 4.4A)
CIT  A   1 (-2.8A)
None
CIT  A   1 ( 3.7A)
CIT  A   1 (-3.7A)
CIT  A   1 (-3.3A)
 0.32A 4euzA-3mfdA:
21.8		 4euzA-3mfdA:
21.17
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.
3mfd D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACB

(Bacillus
subtilis) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		6 SER A 115
ASN A 117
LEU A 158
LYS A 220
THR A 221
GLY A 222
 CIT  A   1 (-2.8A)
None
None
CIT  A   1 ( 3.7A)
CIT  A   1 (-3.7A)
CIT  A   1 (-3.3A)
 0.72A 4euzA-3mfdA:
21.8		 4euzA-3mfdA:
21.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3p09 BETA-LACTAMASE

(Francisella
tularensis) 		PF13354
(Beta-lactamase2) 		8 LYS A  64
SER A 122
ASN A 162
THR A 208
LYS A 226
THR A 227
GLY A 228
THR A 229
 None
SO4  A 288 (-2.7A)
None
SO4  A 288 ( 4.8A)
SO4  A 288 (-3.5A)
SO4  A 288 (-3.6A)
SO4  A 288 (-3.3A)
SO4  A 288 (-3.4A)
 0.34A 4euzA-3p09A:
39.6		 4euzA-3p09A:
32.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q7z BETA-LACTAMASE
REGULATORY PROTEIN
BLAR1

(Staphylococcus
aureus) 		PF00905
(Transpeptidase) 		7 LYS A 392
SER A 437
ASN A 439
LYS A 526
THR A 527
GLY A 528
THR A 529
 BOU  A 584 ( 3.9A)
BOU  A 584 (-2.8A)
BOU  A 584 (-3.5A)
BOU  A 584 (-3.3A)
BOU  A 584 (-3.6A)
BOU  A 584 (-3.7A)
BOU  A 584 (-3.6A)
 0.60A 4euzA-3q7zA:
17.9		 4euzA-3q7zA:
23.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3qhy BETA-LACTAMASE

(Bacillus
anthracis) 		PF13354
(Beta-lactamase2) 		7 LYS A  73
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 236
 None
 0.40A 4euzA-3qhyA:
41.0		 4euzA-3qhyA:
45.55
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.
3ue1 PENICILLIN-BINDING
PROTEIN 1A

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		6 SER A 487
ASN A 489
LYS A 669
THR A 670
GLY A 671
THR A 672
 UE1  A 998 (-3.3A)
UE1  A 998 (-2.8A)
UE1  A 998 ( 3.8A)
UE1  A 998 (-3.4A)
UE1  A 998 (-3.4A)
UE1  A 998 (-3.6A)
 0.80A 4euzA-3ue1A:
16.2		 4euzA-3ue1A:
19.20
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.
3ue3 SEPTUM FORMATION,
PENICILLIN BINDING
PROTEIN 3,
PEPTIDOGLYCAN
SYNTHETASE

(Acinetobacter
sp. ATCC 27244) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		7 LYS A 339
SER A 390
ASN A 392
LYS A 525
THR A 526
GLY A 527
THR A 528
 None
 0.96A 4euzA-3ue3A:
17.1		 4euzA-3ue3A:
20.32
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.
3upn PENICILLIN-BINDING
PROTEIN A

(Mycobacterium
tuberculosis) 		PF00905
(Transpeptidase) 		6 LYS A 225
SER A 281
ASN A 283
LYS A 424
THR A 425
GLY A 426
 IM2  A 800 ( 4.5A)
IM2  A 800 (-3.0A)
IM2  A 800 (-3.3A)
IM2  A 800 ( 3.9A)
IM2  A 800 (-3.5A)
IM2  A 800 (-3.4A)
 0.69A 4euzA-3upnA:
17.5		 4euzA-3upnA:
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.
3v39 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Bdellovibrio
bacteriovorus) 		PF02113
(Peptidase_S13) 		7 LYS A  73
SER A 251
ASN A 253
THR A 342
LYS A 357
THR A 358
GLY A 359
 TAU  A 501 ( 3.7A)
TAU  A 501 (-2.6A)
TAU  A 501 (-3.1A)
None
TAU  A 501 ( 4.3A)
None
TAU  A 501 (-3.5A)
 0.37A 4euzA-3v39A:
16.8		 4euzA-3v39A:
22.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3w4q BETA-LACTAMASE

(Burkholderia
multivorans) 		PF13354
(Beta-lactamase2) 		8 LYS A  73
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
THR A 237
 None
 0.50A 4euzA-3w4qA:
42.5		 4euzA-3w4qA:
51.25
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) 		7 LYS A  73
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 None
SO4  A1291 (-3.1A)
None
None
SO4  A1291 (-3.3A)
SO4  A1291 (-3.6A)
SO4  A1291 (-3.3A)
 0.38A 4euzA-3zdjA:
38.0		 4euzA-3zdjA:
40.91
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.
3zg8 PENICILLIN-BINDING
PROTEIN 4

(Listeria
monocytogenes) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		7 LYS B 397
SER B 449
ASN B 451
THR B 561
LYS B 575
THR B 576
GLY B 577
 AIX  B 800 ( 3.1A)
AIX  B 800 (-2.4A)
AIX  B 800 (-2.7A)
AIX  B 800 ( 3.8A)
AIX  B 800 ( 4.0A)
AIX  B 800 (-3.4A)
AIX  B 800 ( 3.7A)
 0.71A 4euzA-3zg8B:
16.7		 4euzA-3zg8B:
20.22
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) 		8 LYS A  73
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
 None
 0.39A 4euzA-3znyA:
42.2		 4euzA-3znyA:
46.83
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.
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp. R39) 		PF02113
(Peptidase_S13) 		8 LYS A  52
SER A 298
ASN A 300
THR A 393
LYS A 410
THR A 411
GLY A 412
THR A 413
 B07  A 500 (-3.4A)
B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 ( 4.8A)
B07  A 500 (-1.6A)
B07  A 500 (-4.8A)
B07  A 500 (-3.2A)
None
 0.76A 4euzA-3zvtA:
20.0		 4euzA-3zvtA:
21.84
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.
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp. R39) 		PF02113
(Peptidase_S13) 		7 SER A 298
ASN A 300
LEU A 349
THR A 393
THR A 411
GLY A 412
THR A 413
 B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 ( 4.9A)
B07  A 500 ( 4.8A)
B07  A 500 (-4.8A)
B07  A 500 (-3.2A)
None
 0.91A 4euzA-3zvtA:
20.0		 4euzA-3zvtA:
21.84
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) 		9 LYS A  73
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
THR A 237
 PEG  A 307 ( 3.6A)
PEG  A 307 (-2.4A)
PEG  A 307 (-3.1A)
PEG  A 307 ( 4.3A)
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)
 0.47A 4euzA-4c6yA:
41.2		 4euzA-4c6yA:
49.47
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) 		9 LYS A  73
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
THR A 237
 SO4  A 291 ( 4.6A)
SO4  A 291 (-2.8A)
None
None
SO4  A 291 ( 4.1A)
SO4  A 291 (-3.4A)
SO4  A 291 (-3.8A)
NA  A 294 ( 3.2A)
SO4  A 291 ( 3.4A)
 0.48A 4euzA-4c75A:
41.4		 4euzA-4c75A:
52.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d2o PER-2 BETA-LACTAMASE

(Citrobacter
freundii) 		PF13354
(Beta-lactamase2) 		8 LYS A  73
SER A 130
ASN A 132
THR A 216
LYS A 234
THR A 235
GLY A 236
THR A 237
 None
 0.58A 4euzA-4d2oA:
31.8		 4euzA-4d2oA:
29.33
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) 		11 LYS A  73
HIS A 105
SER A 130
ASN A 132
LEU A 167
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
THR A 237
 MER  A 401 ( 4.4A)
MER  A 401 ( 3.7A)
MER  A 401 (-2.8A)
MER  A 401 (-3.2A)
None
MER  A 401 (-2.9A)
MER  A 401 ( 3.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.5A)
MER  A 401 (-3.6A)
MER  A 401 (-3.7A)
 0.57A 4euzA-4ev4A:
50.8		 4euzA-4ev4A:
99.29
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.
4ewf BETA-LACTAMASE

(Sphaerobacter
thermophilus) 		PF13354
(Beta-lactamase2) 		6 LYS A  52
SER A 110
ASN A 112
LYS A 213
THR A 214
GLY A 215
 None
SO4  A 301 (-3.1A)
None
SO4  A 301 (-3.0A)
SO4  A 301 (-3.8A)
SO4  A 301 (-3.5A)
 0.46A 4euzA-4ewfA:
31.5		 4euzA-4ewfA:
25.34
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.
4fsf PENICILLIN-BINDING
PROTEIN 3

(Pseudomonas
aeruginosa) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		6 LYS A 297
SER A 349
ASN A 351
LYS A 484
GLY A 486
THR A 487
 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)
0W0  A 601 (-3.7A)
 0.59A 4euzA-4fsfA:
17.3		 4euzA-4fsfA:
22.06
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.
4hes BETA-LACTAMASE CLASS
A-LIKE PROTEIN

(Veillonella
parvula) 		PF13354
(Beta-lactamase2) 		6 LYS A  59
SER A 117
ASN A 119
LYS A 217
THR A 218
GLY A 219
 GOL  A 301 ( 4.2A)
GOL  A 301 (-2.7A)
None
GOL  A 301 ( 4.6A)
GOL  A 301 (-3.7A)
GOL  A 301 (-3.5A)
 0.41A 4euzA-4hesA:
29.1		 4euzA-4hesA:
24.33
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.
4mnr PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Eggerthella
lenta) 		PF00905
(Transpeptidase) 		7 LYS A 185
SER A 237
ASN A 239
THR A 383
LYS A 397
THR A 398
GLY A 399
 None
 0.61A 4euzA-4mnrA:
16.8		 4euzA-4mnrA:
21.61
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.
4mnr PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Eggerthella
lenta) 		PF00905
(Transpeptidase) 		7 LYS A 185
SER A 237
THR A 383
LYS A 397
THR A 398
GLY A 399
THR A 400
 None
 0.75A 4euzA-4mnrA:
16.8		 4euzA-4mnrA:
21.61
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.
4oon PENICILLIN-BINDING
PROTEIN 1A

(Pseudomonas
aeruginosa) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		7 SER A 520
ASN A 522
LEU A 559
THR A 680
THR A 696
GLY A 697
THR A 698
 2U4  A 901 (-3.6A)
2U4  A 901 (-2.9A)
2U4  A 901 (-4.7A)
2U4  A 901 (-4.1A)
2U4  A 901 (-3.7A)
2U4  A 901 (-3.7A)
2U4  A 901 (-3.8A)
 1.27A 4euzA-4oonA:
16.8		 4euzA-4oonA:
17.31
Potential target for repurposing, i.e. matched protein structure has less than 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) 		7 SER A 520
ASN A 522
THR A 680
LYS A 695
THR A 696
GLY A 697
THR A 698
 2U4  A 901 (-3.6A)
2U4  A 901 (-2.9A)
2U4  A 901 (-4.1A)
2U4  A 901 ( 4.3A)
2U4  A 901 (-3.7A)
2U4  A 901 (-3.7A)
2U4  A 901 (-3.8A)
 0.77A 4euzA-4oonA:
16.8		 4euzA-4oonA:
17.31
Potential target for repurposing, i.e. matched protein structure has less than 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) 		7 LYS A 308
SER A 361
ASN A 363
THR A 486
LYS A 500
THR A 501
GLY A 502
 None
CA  A 601 ( 3.8A)
None
CA  A 601 ( 4.7A)
CA  A 601 ( 4.1A)
CA  A 601 (-4.0A)
CA  A 601 ( 4.2A)
 0.60A 4euzA-4ovdA:
16.6		 4euzA-4ovdA:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ovd PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Atopobium
parvulum) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		7 LYS A 308
SER A 361
THR A 486
LYS A 500
THR A 501
GLY A 502
THR A 503
 None
CA  A 601 ( 3.8A)
CA  A 601 ( 4.7A)
CA  A 601 ( 4.1A)
CA  A 601 (-4.0A)
CA  A 601 ( 4.2A)
None
 0.87A 4euzA-4ovdA:
16.6		 4euzA-4ovdA:
19.48
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) 		6 LYS A 124
SER A 176
ASN A 178
LYS A 282
THR A 283
GLY A 284
 MER  A 400 ( 4.1A)
MER  A 400 (-2.5A)
MER  A 400 (-3.0A)
MER  A 400 (-3.0A)
MER  A 400 (-3.6A)
MER  A 400 (-3.1A)
 0.47A 4euzA-4pprA:
19.7		 4euzA-4pprA:
23.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ppr PENICILLIN-BINDING
PROTEIN DACB1

(Mycobacterium
tuberculosis) 		PF00768
(Peptidase_S11) 		6 SER A 176
ASN A 178
LEU A 218
LYS A 282
THR A 283
GLY A 284
 MER  A 400 (-2.5A)
MER  A 400 (-3.0A)
MER  A 400 (-4.2A)
MER  A 400 (-3.0A)
MER  A 400 (-3.6A)
MER  A 400 (-3.1A)
 0.79A 4euzA-4pprA:
19.7		 4euzA-4pprA:
23.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ra7 PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Atopobium
parvulum) 		PF00905
(Transpeptidase) 		8 LYS A 685
SER A 737
ASN A 739
THR A 876
LYS A 890
THR A 891
GLY A 892
THR A 893
 NXU  A1001 ( 4.2A)
NXU  A1001 (-3.2A)
NXU  A1001 (-3.5A)
NXU  A1001 (-4.0A)
NXU  A1001 (-3.5A)
NXU  A1001 (-3.3A)
NXU  A1001 (-3.4A)
NXU  A1001 (-3.9A)
 0.74A 4euzA-4ra7A:
15.7		 4euzA-4ra7A:
21.83
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.
4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Mycobacterium
tuberculosis) 		PF00768
(Peptidase_S11) 		6 LYS A  72
SER A 124
ASN A 126
LYS A 230
THR A 231
GLY A 232
 None
 0.40A 4euzA-4ryeA:
21.4		 4euzA-4ryeA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 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 124
ASN A 126
LEU A 166
LYS A 230
THR A 231
GLY A 232
 None
 0.81A 4euzA-4ryeA:
21.4		 4euzA-4ryeA:
21.31
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) 		8 LYS A  74
SER A 131
ASN A 133
ASN A 171
THR A 215
LYS A 233
THR A 234
GLY A 235
 ACT  A 301 ( 4.8A)
ACT  A 301 (-2.9A)
None
None
ACT  A 301 (-3.7A)
ACT  A 301 (-3.4A)
ACT  A 301 (-3.5A)
ACT  A 301 (-3.3A)
 0.41A 4euzA-4yfmA:
40.5		 4euzA-4yfmA:
45.64
Potential target for repurposing, i.e. matched protein structure has less than 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) 		8 LYS A 403
SER A 454
ASN A 456
THR A 554
LYS A 568
THR A 569
GLY A 570
THR A 571
 None
NHE  A 901 (-2.9A)
None
NHE  A 901 ( 4.2A)
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
NHE  A 901 (-3.6A)
NHE  A 901 (-3.8A)
 0.66A 4euzA-4ztkA:
16.2		 4euzA-4ztkA:
25.87
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.
5aqa OFF7_DB04V3

(synthetic
construct) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13354
(Beta-lactamase2) 		6 LYS A 203
SER A 260
ASN A 262
ASN A 300
LYS A 364
GLY A 366
 None
 0.43A 4euzA-5aqaA:
36.7		 4euzA-5aqaA:
29.51
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.
5cer BD0816

(Bdellovibrio
bacteriovorus) 		PF02113
(Peptidase_S13) 		9 ALA A  58
LYS A  61
SER A 239
ASN A 241
THR A 330
LYS A 345
THR A 346
GLY A 347
THR A 348
 None
 0.44A 4euzA-5cerA:
17.4		 4euzA-5cerA:
20.34
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.
5cxw PENICILLIN-BINDING
PROTEIN 1A

(Mycobacterium
tuberculosis) 		PF00905
(Transpeptidase) 		7 LYS A 348
SER A 398
ASN A 400
LYS A 539
THR A 540
GLY A 541
THR A 542
 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)
35P  A 702 (-3.5A)
35P  A 702 (-3.7A)
 0.75A 4euzA-5cxwA:
17.9		 4euzA-5cxwA:
20.37
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) 		8 LYS A  50
SER A 107
ASN A 109
ASN A 147
THR A 193
LYS A 211
THR A 212
GLY A 213
 None
 0.43A 4euzA-5e2eA:
42.5		 4euzA-5e2eA:
47.35
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) 		10 LYS A  73
HIS A 106
SER A 131
ASN A 133
ASN A 171
THR A 217
LYS A 235
THR A 236
GLY A 237
THR A 238
 None
ACT  A 303 (-4.0A)
ACT  A 311 (-3.0A)
None
None
ACT  A 311 ( 3.9A)
ACT  A 311 (-3.3A)
ACT  A 311 (-3.7A)
ACT  A 311 (-3.2A)
ACT  A 311 (-3.8A)
 0.32A 4euzA-5e43A:
43.5		 4euzA-5e43A:
42.72
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) 		8 LYS A  65
SER A 123
ASN A 125
ASN A 163
THR A 209
LYS A 227
THR A 228
GLY A 229
 CIT  A 303 (-3.6A)
CIT  A 303 (-2.5A)
CIT  A 303 (-3.2A)
None
CIT  A 303 (-3.2A)
CIT  A 303 (-3.5A)
CIT  A 303 (-3.6A)
CIT  A 303 (-3.5A)
 0.36A 4euzA-5eoeA:
39.5		 4euzA-5eoeA:
40.00
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) 		8 LYS A  67
SER A 125
ASN A 127
THR A 211
LYS A 229
THR A 230
GLY A 231
THR A 232
 IM2  A 301 ( 3.9A)
IM2  A 301 (-2.7A)
IM2  A 301 (-3.2A)
IM2  A 301 (-4.1A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.6A)
IM2  A 301 (-3.3A)
IM2  A 301 (-4.0A)
 0.44A 4euzA-5f83A:
39.4		 4euzA-5f83A:
40.14
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) 		9 LYS A  73
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
THR A 237
 None
 0.40A 4euzA-5gl9A:
42.7		 4euzA-5gl9A:
51.97
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.
5hlb PENICILLIN-BINDING
PROTEIN 1B

(Escherichia
coli) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF14814
(UB2H) 		8 LYS A 513
SER A 572
ASN A 574
THR A 682
LYS A 698
THR A 699
GLY A 700
THR A 701
 AZR  A 902 ( 4.0A)
AZR  A 902 ( 3.7A)
AZR  A 902 (-3.4A)
AZR  A 902 (-3.4A)
AZR  A 902 ( 4.5A)
AZR  A 902 (-3.5A)
AZR  A 902 (-3.3A)
AZR  A 902 (-4.3A)
 0.70A 4euzA-5hlbA:
18.0		 4euzA-5hlbA:
19.83
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.
5ll7 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 10 LYS A  73
SER A 130
ASN A 132
LEU A 167
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
THR A 237
 6YV  A 301 ( 3.8A)
6YV  A 301 (-2.6A)
6YV  A 301 (-3.7A)
None
6YV  A 301 (-2.9A)
6YV  A 301 ( 4.2A)
6YV  A 301 (-3.6A)
6YV  A 301 (-3.6A)
6YV  A 301 ( 4.0A)
6YV  A 301 (-3.6A)
 0.45A 4euzA-5ll7A:
45.4		 4euzA-5ll7A:
22.54
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.
5lp4 PENICILLIN-BINDING
PROTEIN 2 (PBP2)

(Helicobacter
pylori) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		6 LYS A 314
SER A 366
THR A 498
LYS A 513
THR A 514
GLY A 515
 None
 0.59A 4euzA-5lp4A:
15.7		 4euzA-5lp4A:
18.89
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.
5tfq BETA-LACTAMASE

(Bacteroides
cellulosilyticus) 		PF13354
(Beta-lactamase2) 		7 LYS A  51
SER A 112
ASN A 114
THR A 197
LYS A 215
THR A 216
GLY A 217
 None
PO4  A 301 (-2.6A)
None
PO4  A 301 ( 3.8A)
PO4  A 301 (-3.2A)
PO4  A 301 ( 3.6A)
PO4  A 301 (-3.3A)
 0.37A 4euzA-5tfqA:
32.5		 4euzA-5tfqA:
25.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tr7 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Vibrio cholerae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		7 LYS A  69
SER A 129
ASN A 131
LEU A 172
LYS A 232
THR A 233
GLY A 234
 None
 0.80A 4euzA-5tr7A:
22.1		 4euzA-5tr7A:
22.35
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.
5tro PENICILLIN-BINDING
PROTEIN 1

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		7 LYS A 317
SER A 368
ASN A 370
LYS A 513
THR A 514
GLY A 515
THR A 516
 None
 0.59A 4euzA-5troA:
17.0		 4euzA-5troA:
19.83
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.
5ty7 PENICILLIN-BINDING
PROTEIN 4

(Staphylococcus
aureus) 		no annotation 6 LYS A  78
SER A 139
ASN A 141
LYS A 259
THR A 260
GLY A 261
 NFF  A 401 ( 4.4A)
NFF  A 401 (-3.4A)
None
NFF  A 401 ( 4.8A)
NFF  A 401 (-3.9A)
NFF  A 401 (-3.7A)
 0.59A 4euzA-5ty7A:
21.0		 4euzA-5ty7A:
20.51
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.
5u2g PENICILLIN-BINDING
PROTEIN 1A

(Haemophilus
influenzae) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		7 LYS A 455
SER A 510
ASN A 512
THR A 712
LYS A 728
THR A 729
GLY A 730
 None
None
None
None
None
CL  A 910 ( 4.2A)
None
 0.71A 4euzA-5u2gA:
17.3		 4euzA-5u2gA:
17.00
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.
5u2g PENICILLIN-BINDING
PROTEIN 1A

(Haemophilus
influenzae) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		7 LYS A 455
SER A 510
THR A 712
LYS A 728
THR A 729
GLY A 730
THR A 731
 None
None
None
None
CL  A 910 ( 4.2A)
None
CL  A 910 (-4.2A)
 0.80A 4euzA-5u2gA:
17.3		 4euzA-5u2gA:
17.00
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.
5u47 PENICILLIN BINDING
PROTEIN 2X

(Streptococcus
thermophilus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF03793
(PASTA) 		6 LYS A 346
SER A 402
ASN A 404
THR A 532
LYS A 553
GLY A 555
 None
 0.62A 4euzA-5u47A:
16.4		 4euzA-5u47A:
17.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u47 PENICILLIN BINDING
PROTEIN 2X

(Streptococcus
thermophilus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF03793
(PASTA) 		6 LYS A 346
SER A 402
THR A 532
LYS A 553
GLY A 555
THR A 556
 None
 0.80A 4euzA-5u47A:
16.4		 4euzA-5u47A:
17.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vpq BETA-LACTAMASE

(Paraburkholderia
phymatum) 		PF13354
(Beta-lactamase2) 		6 HIS A  93
SER A 119
ASN A 159
THR A 206
THR A 226
GLY A 227
 None
 0.66A 4euzA-5vpqA:
40.7		 4euzA-5vpqA:
46.78
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.
5x5g BETA-LACTAMASE

(Serratia
marcescens) 		PF13354
(Beta-lactamase2) 		7 LYS A  59
SER A 120
ASN A 122
THR A 206
LYS A 224
THR A 225
GLY A 226
 OP0  A 305 (-3.6A)
OP0  A 305 (-2.7A)
OP0  A 305 (-3.1A)
OP0  A 305 (-3.6A)
OP0  A 305 (-3.4A)
OP0  A 305 (-3.7A)
OP0  A 305 (-3.2A)
 0.47A 4euzA-5x5gA:
33.8		 4euzA-5x5gA:
25.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zqe -

(-) 		no annotation 7 LYS A  61
SER A 118
ASN A 120
THR A 208
LYS A 222
THR A 223
GLY A 224
 CES  A 301 ( 4.1A)
CES  A 301 ( 3.7A)
CES  A 301 (-3.3A)
CES  A 301 (-4.3A)
None
CES  A 301 (-3.6A)
CES  A 301 (-3.2A)
 0.52A 4euzA-5zqeA:
22.1		 4euzA-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 118
ASN A 120
LEU A 160
THR A 208
LYS A 222
THR A 223
GLY A 224
 CES  A 301 ( 3.7A)
CES  A 301 (-3.3A)
None
CES  A 301 (-4.3A)
None
CES  A 301 (-3.6A)
CES  A 301 (-3.2A)
 0.82A 4euzA-5zqeA:
22.1		 4euzA-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) 		7 LYS A  71
SER A 125
ASN A 127
THR A 217
LYS A 232
THR A 233
GLY A 234
 SEE  A  68 ( 2.8A)
SEE  A  68 ( 1.4A)
SEE  A  68 ( 3.6A)
None
SEE  A  68 ( 3.5A)
None
SEE  A  68 ( 3.9A)
 0.40A 4euzA-6aziA:
20.8		 4euzA-6aziA:
22.61
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.
6azi D-ALANYL-D-ALANINE
ENDOPEPTIDASE

(Enterobacter
cloacae) 		PF00768
(Peptidase_S11) 		7 SER A 125
ASN A 127
LEU A 168
THR A 217
LYS A 232
THR A 233
GLY A 234
 SEE  A  68 ( 1.4A)
SEE  A  68 ( 3.6A)
None
None
SEE  A  68 ( 3.5A)
None
SEE  A  68 ( 3.9A)
 0.72A 4euzA-6aziA:
20.8		 4euzA-6aziA:
22.61
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.
6bu3 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 8 LYS A  73
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
 3GK  A 301 ( 4.0A)
3GK  A 301 (-2.7A)
3GK  A 301 (-3.5A)
3GK  A 301 (-3.9A)
3GK  A 302 ( 4.3A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.7A)
3GK  A 301 (-3.4A)
 0.48A 4euzA-6bu3A:
42.6		 4euzA-6bu3A:
16.36