SIMILAR PATTERNS OF AMINO ACIDS FOR 3HUO_A_PNNA300

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1alq CP254 BETA-LACTAMASE

(Staphylococcus
aureus) 		PF13354
(Beta-lactamase2) 		5 LYS A  73
ASN A 132
ASN A 170
LYS A 234
GLY A 236
 None
 0.57A 3huoA-1alqA:
28.1		 3huoA-1alqA:
30.07
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 CYH A  69
LYS A  73
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
GLY A 238
 None
 0.29A 3huoA-1bsgA:
43.1		 3huoA-1bsgA:
46.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bue PROTEIN
(IMIPENEM-HYDROLYSIN
G BETA-LACTAMASE)

(Enterobacter
cloacae) 		PF13354
(Beta-lactamase2) 		6 LYS A  73
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 None
 0.61A 3huoA-1bueA:
41.0		 3huoA-1bueA:
48.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dy6 CARBAPENEM-HYDROLYSI
NG BETA-LACTAMASE
SME-1

(Serratia
marcescens) 		PF13354
(Beta-lactamase2) 		6 LYS A  73
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 None
 0.56A 3huoA-1dy6A:
41.2		 3huoA-1dy6A:
47.96
Potential target for repurposing, i.e. matched protein structure has less than 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) 		5 LYS A  73
ASN A 132
LYS A 234
THR A 235
GLY A 236
 None
None
SO4  A 500 (-3.2A)
SO4  A 500 (-3.8A)
SO4  A 500 (-3.5A)
 0.28A 3huoA-1e25A:
33.0		 3huoA-1e25A:
28.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1g68 BETA-LACTAMASE PSE-4

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		5 LYS A  73
ASN A 132
ASN A 170
GLY A 236
GLY A 238
 SO4  A 400 ( 4.7A)
None
None
SO4  A 400 (-3.0A)
None
 0.36A 3huoA-1g68A:
39.7		 3huoA-1g68A:
39.11
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) 		9 LYS A  73
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
SER A 237
GLY A 238
ASP A 240
 None
None
None
MES  A1000 (-2.9A)
MES  A1000 (-3.7A)
MES  A1000 (-3.1A)
MES  A1000 (-2.7A)
None
None
 0.72A 3huoA-1hzoA:
46.4		 3huoA-1hzoA:
65.54
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
ASN A 104
ASN A 132
LYS A 234
THR A 235
GLY A 236
GLY A 238
 CFX  A1300 (-2.6A)
CFX  A1300 (-3.9A)
CFX  A1300 (-3.0A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.6A)
CFX  A1300 (-3.3A)
CFX  A1300 ( 4.1A)
 0.41A 3huoA-1i2wA:
41.3		 3huoA-1i2wA:
42.35
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.
1j9m DD-TRANSPEPTIDASE

(Streptomyces
sp. K15) 		PF00768
(Peptidase_S11) 		5 LYS A 213
THR A 214
GLY A 215
SER A 216
GLY A 217
 NA  A 600 (-3.4A)
NA  A 600 (-3.9A)
NA  A 600 ( 3.6A)
CL  A 601 (-3.0A)
None
 0.28A 3huoA-1j9mA:
21.9		 3huoA-1j9mA:
28.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1n4o L2 BETA-LACTAMASE

(Stenotrophomonas
maltophilia) 		PF13354
(Beta-lactamase2) 		8 CYH A  69
LYS A  73
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
SER A 237
 None
SO4  A1002 ( 4.9A)
None
None
SO4  A1002 (-3.6A)
SO4  A1002 (-3.6A)
SO4  A1002 (-3.2A)
SO4  A1002 (-2.7A)
 0.35A 3huoA-1n4oA:
40.5		 3huoA-1n4oA:
46.91
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) 		6 LYS A  73
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 None
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
 0.38A 3huoA-1n9bA:
35.7		 3huoA-1n9bA:
39.93
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.
1rgy BETA-LACTAMASE

(Citrobacter
freundii) 		PF00144
(Beta-lactamase) 		5 LYS A  67
ASN A 152
LYS A 315
THR A 316
GLY A 317
 PTX  A 400 ( 4.0A)
PTX  A 400 (-3.6A)
PTX  A 400 ( 4.5A)
None
PTX  A 400 (-3.3A)
 0.34A 3huoA-1rgyA:
15.0		 3huoA-1rgyA:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1s6r BETA-LACTAMASE

(Enterobacter
cloacae) 		PF00144
(Beta-lactamase) 		5 LYS A  67
ASN A 152
LYS A 315
THR A 316
GLY A 317
 IAP  A   1 ( 4.0A)
IAP  A   1 (-2.9A)
IAP  A   1 ( 4.9A)
None
IAP  A   1 (-3.8A)
 0.67A 3huoA-1s6rA:
14.1		 3huoA-1s6rA:
23.95
Potential target for repurposing, i.e. matched protein structure has less than 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 LYS A  55
ASN A 301
LYS A 411
THR A 412
GLY A 413
 None
 0.37A 3huoA-1w5dA:
21.0		 3huoA-1w5dA:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Streptococcus
pneumoniae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		6 LYS A  59
ASN A 121
LYS A 239
THR A 240
GLY A 241
ASP A 244
 None
None
SO4  A 464 (-3.5A)
SO4  A 464 (-4.0A)
SO4  A 464 ( 3.8A)
None
 0.84A 3huoA-1xp4A:
20.8		 3huoA-1xp4A:
22.19
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
ASN A 132
ASN A 170
LYS A 234
GLY A 236
GLY A 238
 None
 0.33A 3huoA-1zg4A:
38.4		 3huoA-1zg4A:
38.11
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.
1zkj EXTENDED-SPECTRUM
BETA-LACTAMASE

(Klebsiella
aerogenes) 		PF00144
(Beta-lactamase) 		5 LYS A  68
ASN A 153
LYS A 312
THR A 313
GLY A 314
 None
 0.44A 3huoA-1zkjA:
16.0		 3huoA-1zkjA:
22.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2cc1 BETA-LACTAMASE

(Mycolicibacterium
fortuitum) 		PF13354
(Beta-lactamase2) 		7 ASN A 105
LYS A 234
THR A 235
GLY A 236
SER A 237
GLY A 238
ASP A 240
 None
 0.89A 3huoA-2cc1A:
40.7		 3huoA-2cc1A:
44.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2cc1 BETA-LACTAMASE

(Mycolicibacterium
fortuitum) 		PF13354
(Beta-lactamase2) 		6 CYH A  69
ASN A 105
ASN A 132
ASN A 170
GLY A 238
ASP A 240
 None
 1.43A 3huoA-2cc1A:
40.7		 3huoA-2cc1A:
44.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2cc1 BETA-LACTAMASE

(Mycolicibacterium
fortuitum) 		PF13354
(Beta-lactamase2) 		6 CYH A  69
ASN A 105
ASN A 170
SER A 237
GLY A 238
ASP A 240
 None
 1.25A 3huoA-2cc1A:
40.7		 3huoA-2cc1A:
44.07
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 CYH A  69
ASN A 170
LYS A 234
THR A 235
GLY A 236
SER A 237
GLY A 238
ASP A 240
 None
 0.57A 3huoA-2cc1A:
40.7		 3huoA-2cc1A:
44.07
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) 		9 CYH A  69
LYS A  73
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
GLY A 238
ASP A 240
 None
 0.34A 3huoA-2cc1A:
40.7		 3huoA-2cc1A:
44.07
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.
2exa PENICILLIN-BINDING
PROTEIN 4

(Escherichia
coli) 		PF02113
(Peptidase_S13) 		5 LYS A  65
ASN A 308
LYS A 417
THR A 418
GLY A 419
 DGF  A 501 ( 4.0A)
DGF  A 501 (-3.0A)
None
None
DGF  A 501 (-3.4A)
 0.36A 3huoA-2exaA:
17.5		 3huoA-2exaA:
22.94
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.
2fff PENICILLIN-BINDING
PROTEIN 1B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		5 LYS B 463
ASN B 518
LYS B 651
THR B 652
GLY B 653
 None
 0.40A 3huoA-2fffB:
16.9		 3huoA-2fffB:
21.09
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.
2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN

(Staphylococcus
aureus) 		PF00905
(Transpeptidase) 		6 LYS A 394
ASN A 441
LYS A 528
THR A 529
GLY A 530
GLY A 532
 GOL  A 605 ( 3.9A)
GOL  A 605 (-2.8A)
GOL  A 604 (-2.9A)
GOL  A 604 (-3.7A)
GOL  A 605 ( 3.2A)
None
 0.43A 3huoA-2iwbA:
19.2		 3huoA-2iwbA:
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.
2j7v TLL2115 PROTEIN

(Synechococcus
elongatus) 		PF13354
(Beta-lactamase2) 		5 LYS A  64
ASN A 124
LYS A 219
THR A 220
GLY A 221
 None
 0.29A 3huoA-2j7vA:
33.7		 3huoA-2j7vA:
26.79
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.
2qz6 BETA-LACTAMASE

(Pseudomonas
fluorescens) 		PF00144
(Beta-lactamase) 		5 LYS A  67
ASN A 152
LYS A 315
THR A 316
GLY A 317
 None
 0.56A 3huoA-2qz6A:
15.7		 3huoA-2qz6A:
25.00
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.
2wae PENICILLIN-BINDING
PROTEIN 2B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 LYS A 389
ASN A 445
LYS A 615
THR A 616
GLY A 617
 None
 0.40A 3huoA-2waeA:
16.0		 3huoA-2waeA:
17.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wyx BETA-LACTAMSE TOHO-1

(Escherichia
coli) 		PF13354
(Beta-lactamase2) 		7 CYH A  69
GLY A 236
ASN A 104
ASN A 170
LYS A 234
GLY A 238
ASP A 240
 None
 1.41A 3huoA-2wyxA:
46.1		 3huoA-2wyxA:
83.59
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) 		11 CYH A  69
LYS A  73
ASN A 104
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
SER A 237
GLY A 238
ASP A 240
 None
 0.44A 3huoA-2wyxA:
46.1		 3huoA-2wyxA:
83.59
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.
2xfs ORF12

(Streptomyces
clavuligerus) 		PF13354
(Beta-lactamase2) 		5 LYS A 176
ASN A 236
LYS A 375
GLY A 377
SER A 378
 None
None
J01  A 600 ( 4.4A)
J01  A 600 ( 3.8A)
J01  A 600 (-3.4A)
 0.53A 3huoA-2xfsA:
22.5		 3huoA-2xfsA:
22.73
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.
2zc7 BETA-LACTAMASE ACT-1

(Klebsiella
pneumoniae) 		PF00144
(Beta-lactamase) 		5 LYS A  67
ASN A 152
LYS A 315
THR A 316
GLY A 317
 None
 0.53A 3huoA-2zc7A:
14.9		 3huoA-2zc7A:
24.00
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.
2zj9 AMPC

(Escherichia
coli) 		PF00144
(Beta-lactamase) 		5 LYS A  67
ASN A 152
LYS A 315
THR A 316
GLY A 317
 None
 0.40A 3huoA-2zj9A:
14.8		 3huoA-2zj9A:
24.00
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.
3a3i PENICILLIN-BINDING
PROTEIN 4

(Haemophilus
influenzae) 		PF02113
(Peptidase_S13) 		5 LYS A  72
ASN A 312
LYS A 420
THR A 421
GLY A 422
 AIX  A 501 ( 4.0A)
AIX  A 501 (-3.3A)
AIX  A 501 ( 3.8A)
AIX  A 501 (-3.4A)
AIX  A 501 (-3.4A)
 0.42A 3huoA-3a3iA:
20.7		 3huoA-3a3iA:
21.79
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
ASN A 104
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
ASP A 240
 MER  A 301 ( 3.8A)
MER  A 301 ( 4.1A)
MER  A 301 (-3.2A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.5A)
MER  A 301 (-3.0A)
None
 0.50A 3huoA-3bfgA:
46.7		 3huoA-3bfgA:
74.90
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) 		9 CYH A  72
LYS A  76
ASN A 135
ASN A 173
LYS A 237
THR A 238
GLY A 239
GLY A 241
ASP A 242
 None
SO4  A 301 ( 4.9A)
None
None
SO4  A 301 (-3.1A)
SO4  A 301 (-3.9A)
SO4  A 301 (-3.3A)
None
None
 0.27A 3huoA-3bydA:
47.1		 3huoA-3bydA:
74.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cjm PUTATIVE
BETA-LACTAMASE

(Enterococcus
faecalis) 		PF13354
(Beta-lactamase2) 		6 LYS A 111
ASN A 171
LYS A 257
GLY A 259
SER A 260
ASP A 262
 NO3  A   1 (-3.5A)
NO3  A   1 ( 4.7A)
None
None
EDO  A   7 ( 4.0A)
None
 0.74A 3huoA-3cjmA:
27.3		 3huoA-3cjmA:
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.
3dwk PENICILLIN-BINDING
PROTEIN 2

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		6 LYS A 401
ASN A 456
LYS A 583
THR A 584
GLY A 585
GLY A 587
 SO4  A  26 ( 4.8A)
None
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.6A)
SO4  A  26 (-3.3A)
None
 0.53A 3huoA-3dwkA:
18.1		 3huoA-3dwkA:
19.12
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 CYH A  83
LYS A  87
ASN A 186
LYS A 250
THR A 251
GLY A 252
GLY A 254
ASP A 255
 DWZ  A 400 (-4.9A)
DWZ  A 400 (-2.6A)
DWZ  A 400 ( 4.0A)
DWZ  A 400 ( 3.8A)
DWZ  A 400 (-3.5A)
DWZ  A 400 (-3.3A)
None
None
 0.50A 3huoA-3dwzA:
41.3		 3huoA-3dwzA:
44.98
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.
3hum PENICILLIN-BINDING
PROTEIN 4

(Staphylococcus
aureus) 		PF00768
(Peptidase_S11)
PF09211
(DUF1958) 		6 LYS A  78
ASN A 141
LYS A 259
THR A 260
GLY A 261
ASP A 264
 None
None
CEW  A 501 ( 4.4A)
CEW  A 501 ( 4.3A)
CEW  A 501 (-3.1A)
None
 0.95A 3huoA-3humA:
22.5		 3huoA-3humA:
22.05
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.
3hum PENICILLIN-BINDING
PROTEIN 4

(Staphylococcus
aureus) 		PF00768
(Peptidase_S11)
PF09211
(DUF1958) 		5 LYS A 259
THR A 260
GLY A 261
SER A 262
ASP A 264
 CEW  A 501 ( 4.4A)
CEW  A 501 ( 4.3A)
CEW  A 501 (-3.1A)
CEW  A 501 (-2.9A)
None
 0.64A 3huoA-3humA:
22.5		 3huoA-3humA:
22.05
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
LYS A 247
THR A 248
GLY A 249
GLY A 251
 None
None
None
EPE  A 305 (-3.1A)
EPE  A 305 (-3.6A)
EPE  A 305 (-3.4A)
None
 0.37A 3huoA-3lezA:
41.5		 3huoA-3lezA:
43.23
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.
3mfd D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACB

(Bacillus
subtilis) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		5 LYS A  63
ASN A 117
LYS A 220
THR A 221
GLY A 222
 CIT  A   1 ( 4.4A)
None
CIT  A   1 ( 3.7A)
CIT  A   1 (-3.7A)
CIT  A   1 (-3.3A)
 0.26A 3huoA-3mfdA:
22.4		 3huoA-3mfdA:
23.73
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) 		5 LYS A  64
ASN A 162
LYS A 226
THR A 227
GLY A 228
 None
None
SO4  A 288 (-3.5A)
SO4  A 288 (-3.6A)
SO4  A 288 (-3.3A)
 0.48A 3huoA-3p09A:
39.4		 3huoA-3p09A:
30.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q7z BETA-LACTAMASE
REGULATORY PROTEIN
BLAR1

(Staphylococcus
aureus) 		PF00905
(Transpeptidase) 		6 LYS A 392
ASN A 439
LYS A 526
THR A 527
GLY A 528
GLY A 530
 BOU  A 584 ( 3.9A)
BOU  A 584 (-3.5A)
BOU  A 584 (-3.3A)
BOU  A 584 (-3.6A)
BOU  A 584 (-3.7A)
BOU  A 584 ( 3.9A)
 0.40A 3huoA-3q7zA:
18.1		 3huoA-3q7zA:
20.00
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) 		6 LYS A  73
ASN A 132
ASN A 170
LYS A 234
GLY A 236
GLY A 238
 None
 0.41A 3huoA-3qhyA:
41.9		 3huoA-3qhyA:
43.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rju BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE

(Yersinia pestis) 		PF00144
(Beta-lactamase) 		6 LYS A  62
ASN A 158
LYS A 299
THR A 300
GLY A 301
GLY A 303
 CIT  A 391 ( 4.4A)
CIT  A 391 ( 4.7A)
CIT  A 391 ( 4.4A)
CIT  A 391 (-3.4A)
CIT  A 391 (-3.3A)
None
 0.47A 3huoA-3rjuA:
15.2		 3huoA-3rjuA:
22.84
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.
3ue3 SEPTUM FORMATION,
PENICILLIN BINDING
PROTEIN 3,
PEPTIDOGLYCAN
SYNTHETASE

(Acinetobacter
sp. ATCC 27244) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 LYS A 339
ASN A 392
LYS A 525
THR A 526
GLY A 527
 None
 0.48A 3huoA-3ue3A:
16.6		 3huoA-3ue3A:
19.03
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.
3upn PENICILLIN-BINDING
PROTEIN A

(Mycobacterium
tuberculosis) 		PF00905
(Transpeptidase) 		5 LYS A 225
ASN A 283
LYS A 424
THR A 425
GLY A 426
 IM2  A 800 ( 4.5A)
IM2  A 800 (-3.3A)
IM2  A 800 ( 3.9A)
IM2  A 800 (-3.5A)
IM2  A 800 (-3.4A)
 0.58A 3huoA-3upnA:
18.1		 3huoA-3upnA:
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.
3v39 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Bdellovibrio
bacteriovorus) 		PF02113
(Peptidase_S13) 		5 LYS A  73
ASN A 253
LYS A 357
THR A 358
GLY A 359
 TAU  A 501 ( 3.7A)
TAU  A 501 (-3.1A)
TAU  A 501 ( 4.3A)
None
TAU  A 501 (-3.5A)
 0.33A 3huoA-3v39A:
17.5		 3huoA-3v39A:
20.96
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) 		9 CYH A  69
LYS A  73
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
GLY A 238
ASP A 240
 None
 0.36A 3huoA-3w4qA:
44.1		 3huoA-3w4qA:
57.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wrt BETA-LACTAMASE

(Chromohalobacter
sp. 560) 		PF00144
(Beta-lactamase) 		5 LYS A  68
ASN A 153
LYS A 316
THR A 317
GLY A 318
 None
 0.60A 3huoA-3wrtA:
15.6		 3huoA-3wrtA:
24.34
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
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
GLY A 238
 None
None
None
SO4  A1291 (-3.3A)
SO4  A1291 (-3.6A)
SO4  A1291 (-3.3A)
None
 0.37A 3huoA-3zdjA:
38.9		 3huoA-3zdjA:
43.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zg8 PENICILLIN-BINDING
PROTEIN 4

(Listeria
monocytogenes) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		6 LYS B 397
ASN B 451
LYS B 575
THR B 576
GLY B 577
SER B 578
 AIX  B 800 ( 3.1A)
AIX  B 800 (-2.7A)
AIX  B 800 ( 4.0A)
AIX  B 800 (-3.4A)
AIX  B 800 ( 3.7A)
AIX  B 800 (-3.0A)
 0.61A 3huoA-3zg8B:
17.2		 3huoA-3zg8B:
19.74
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) 		9 CYH A  69
LYS A  73
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
SER A 237
GLY A 238
 None
 0.26A 3huoA-3znyA:
47.7		 3huoA-3znyA:
81.75
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.
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp. R39) 		PF02113
(Peptidase_S13) 		5 LYS A  52
ASN A 300
LYS A 410
THR A 411
GLY A 412
 B07  A 500 (-3.4A)
B07  A 500 ( 4.2A)
B07  A 500 (-1.6A)
B07  A 500 (-4.8A)
B07  A 500 (-3.2A)
 0.34A 3huoA-3zvtA:
20.9		 3huoA-3zvtA:
22.94
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) 		8 CYH A  69
LYS A  73
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
GLY A 238
 None
PEG  A 307 ( 3.6A)
PEG  A 307 (-3.1A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-3.0A)
PEG  A 307 (-2.7A)
None
 0.27A 3huoA-4c6yA:
43.5		 3huoA-4c6yA:
58.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c75 BETA-LACTAMASE

(synthetic
construct) 		PF13354
(Beta-lactamase2) 		8 CYH A  69
LYS A  73
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
GLY A 238
 None
SO4  A 291 ( 4.6A)
None
None
SO4  A 291 (-3.4A)
SO4  A 291 (-3.8A)
NA  A 294 ( 3.2A)
None
 0.27A 3huoA-4c75A:
42.6		 3huoA-4c75A:
56.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4d2o PER-2 BETA-LACTAMASE

(Citrobacter
freundii) 		PF13354
(Beta-lactamase2) 		5 LYS A  73
ASN A 132
LYS A 234
THR A 235
GLY A 236
 None
 0.34A 3huoA-4d2oA:
32.7		 3huoA-4d2oA:
31.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1

(Serratia
fonticola) 		PF13354
(Beta-lactamase2) 		6 LYS A  73
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 MER  A 401 ( 4.4A)
MER  A 401 (-3.2A)
MER  A 401 (-2.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.5A)
MER  A 401 (-3.6A)
 0.47A 3huoA-4ev4A:
42.3		 3huoA-4ev4A:
48.04
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.
4ewf BETA-LACTAMASE

(Sphaerobacter
thermophilus) 		PF13354
(Beta-lactamase2) 		5 LYS A  52
ASN A 112
LYS A 213
THR A 214
GLY A 215
 None
None
SO4  A 301 (-3.0A)
SO4  A 301 (-3.8A)
SO4  A 301 (-3.5A)
 0.35A 3huoA-4ewfA:
32.0		 3huoA-4ewfA:
27.08
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.
4hes BETA-LACTAMASE CLASS
A-LIKE PROTEIN

(Veillonella
parvula) 		PF13354
(Beta-lactamase2) 		5 LYS A  59
ASN A 119
LYS A 217
THR A 218
GLY A 219
 GOL  A 301 ( 4.2A)
None
GOL  A 301 ( 4.6A)
GOL  A 301 (-3.7A)
GOL  A 301 (-3.5A)
 0.30A 3huoA-4hesA:
29.5		 3huoA-4hesA:
25.95
Potential target for repurposing, i.e. matched protein structure has less than 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) 		5 LYS A 185
ASN A 239
LYS A 397
THR A 398
GLY A 399
 None
 0.41A 3huoA-4mnrA:
17.4		 3huoA-4mnrA:
23.30
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.
4ovd PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Atopobium
parvulum) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		6 LYS A 308
ASN A 363
LYS A 500
THR A 501
GLY A 502
GLY A 504
 None
None
CA  A 601 ( 4.1A)
CA  A 601 (-4.0A)
CA  A 601 ( 4.2A)
None
 0.82A 3huoA-4ovdA:
17.4		 3huoA-4ovdA:
21.54
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.
4ppr PENICILLIN-BINDING
PROTEIN DACB1

(Mycobacterium
tuberculosis) 		PF00768
(Peptidase_S11) 		5 LYS A 124
ASN A 178
LYS A 282
THR A 283
GLY A 284
 MER  A 400 ( 4.1A)
MER  A 400 (-3.0A)
MER  A 400 (-3.0A)
MER  A 400 (-3.6A)
MER  A 400 (-3.1A)
 0.38A 3huoA-4pprA:
20.0		 3huoA-4pprA:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ra7 PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Atopobium
parvulum) 		PF00905
(Transpeptidase) 		6 LYS A 685
ASN A 739
LYS A 890
THR A 891
GLY A 892
ASP A 895
 NXU  A1001 ( 4.2A)
NXU  A1001 (-3.5A)
NXU  A1001 (-3.5A)
NXU  A1001 (-3.3A)
NXU  A1001 (-3.4A)
NXU  A1001 (-3.1A)
 0.57A 3huoA-4ra7A:
16.8		 3huoA-4ra7A:
22.69
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.
4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Mycobacterium
tuberculosis) 		PF00768
(Peptidase_S11) 		5 LYS A  72
ASN A 126
LYS A 230
THR A 231
GLY A 232
 None
 0.30A 3huoA-4ryeA:
21.4		 3huoA-4ryeA:
25.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u0t ADC-7 BETA-LACTAMASE

(Acinetobacter
baumannii) 		PF00144
(Beta-lactamase) 		5 LYS A  67
ASN A 152
LYS A 312
THR A 313
GLY A 314
 None
None
PO4  A 401 (-2.7A)
PO4  A 401 (-4.0A)
PO4  A 401 (-3.4A)
 0.55A 3huoA-4u0tA:
15.1		 3huoA-4u0tA:
23.56
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.
4x68 BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF00144
(Beta-lactamase) 		5 LYS A  93
ASN A 179
LYS A 342
THR A 343
GLY A 344
 OP0  A 401 ( 4.2A)
OP0  A 401 (-3.5A)
OP0  A 401 (-2.9A)
OP0  A 401 (-4.0A)
OP0  A 401 (-3.3A)
 0.39A 3huoA-4x68A:
15.8		 3huoA-4x68A:
25.07
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 CYH A  70
LYS A  74
ASN A 133
ASN A 171
LYS A 233
THR A 234
GLY A 235
GLY A 237
 None
ACT  A 301 ( 4.8A)
None
None
ACT  A 301 (-3.4A)
ACT  A 301 (-3.5A)
ACT  A 301 (-3.3A)
None
 0.34A 3huoA-4yfmA:
42.0		 3huoA-4yfmA:
43.77
Potential target for repurposing, i.e. matched protein structure has less than 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) 		5 LYS A 403
ASN A 456
LYS A 568
THR A 569
GLY A 570
 None
None
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
NHE  A 901 (-3.6A)
 0.58A 3huoA-4ztkA:
16.8		 3huoA-4ztkA:
25.00
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.
5aqa OFF7_DB04V3

(synthetic
construct) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13354
(Beta-lactamase2) 		6 LYS A 203
ASN A 262
ASN A 300
LYS A 364
GLY A 366
GLY A 368
 None
 0.38A 3huoA-5aqaA:
37.5		 3huoA-5aqaA:
26.79
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.
5cer BD0816

(Bdellovibrio
bacteriovorus) 		PF02113
(Peptidase_S13) 		5 LYS A  61
ASN A 241
LYS A 345
THR A 346
GLY A 347
 None
 0.20A 3huoA-5cerA:
18.2		 3huoA-5cerA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 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) 		5 LYS A 348
ASN A 400
LYS A 539
THR A 540
GLY A 541
 35P  A 702 ( 4.2A)
35P  A 702 (-3.1A)
35P  A 702 (-3.3A)
35P  A 702 (-3.5A)
35P  A 702 (-3.5A)
 0.48A 3huoA-5cxwA:
18.1		 3huoA-5cxwA:
23.93
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) 		10 CYH A  46
LYS A  50
ASN A 109
ASN A 147
LYS A 211
THR A 212
GLY A 213
SER A 214
GLY A 215
ASP A 216
 None
 0.36A 3huoA-5e2eA:
44.3		 3huoA-5e2eA:
58.21
Potential target for repurposing, i.e. matched protein structure has less than 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) 		6 LYS A  61
ASN A 146
LYS A 307
THR A 308
GLY A 309
ASP A 312
 None
CL  A 402 ( 4.8A)
None
None
None
None
 0.58A 3huoA-5e2hA:
15.8		 3huoA-5e2hA:
23.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e43 BETA-LACTAMASE

(Streptosporangium
roseum) 		PF13354
(Beta-lactamase2) 		6 LYS A  73
ASN A 133
ASN A 171
LYS A 235
THR A 236
GLY A 237
 None
None
None
ACT  A 311 (-3.3A)
ACT  A 311 (-3.7A)
ACT  A 311 (-3.2A)
 0.25A 3huoA-5e43A:
42.7		 3huoA-5e43A:
41.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eoe BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		7 LYS A  65
ASN A 125
ASN A 163
LYS A 227
THR A 228
GLY A 229
SER A 230
 CIT  A 303 (-3.6A)
CIT  A 303 (-3.2A)
None
CIT  A 303 (-3.5A)
CIT  A 303 (-3.6A)
CIT  A 303 (-3.5A)
CIT  A 303 (-2.5A)
 0.37A 3huoA-5eoeA:
40.7		 3huoA-5eoeA:
41.42
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.
5evl BETA-LACTAMASE

(Chromobacterium
violaceum) 		PF00144
(Beta-lactamase) 		5 LYS A  68
ASN A 153
LYS A 315
THR A 316
GLY A 317
 None
None
SO4  A 403 (-3.2A)
SO4  A 403 (-4.0A)
SO4  A 403 (-3.5A)
 0.54A 3huoA-5evlA:
16.0		 3huoA-5evlA:
23.42
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) 		5 LYS A  67
ASN A 127
LYS A 229
THR A 230
GLY A 231
 IM2  A 301 ( 3.9A)
IM2  A 301 (-3.2A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.6A)
IM2  A 301 (-3.3A)
 0.19A 3huoA-5f83A:
39.4		 3huoA-5f83A:
37.27
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 CYH A  69
LYS A  73
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
GLY A 238
ASP A 240
 None
 0.30A 3huoA-5gl9A:
45.1		 3huoA-5gl9A:
57.09
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.
5hlb PENICILLIN-BINDING
PROTEIN 1B

(Escherichia
coli) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF14814
(UB2H) 		5 LYS A 513
ASN A 574
LYS A 698
THR A 699
GLY A 700
 AZR  A 902 ( 4.0A)
AZR  A 902 (-3.4A)
AZR  A 902 ( 4.5A)
AZR  A 902 (-3.5A)
AZR  A 902 (-3.3A)
 0.47A 3huoA-5hlbA:
18.4		 3huoA-5hlbA:
17.97
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) 		5 CYH A  69
LYS A  73
ASN A 133
ASN A 171
GLY A 235
 None
None
None
ACT  A 310 (-4.0A)
SO4  A 301 (-3.4A)
 0.56A 3huoA-5hw3A:
39.9		 3huoA-5hw3A:
37.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hx9 BETA-LACTAMASE

(Burkholderia
vietnamiensis) 		PF13354
(Beta-lactamase2) 		6 CYH A  69
GLY A  70
ASN A 170
LYS A 234
GLY A 236
GLY A 238
 None
EDO  A 303 (-3.6A)
None
EDO  A 303 (-2.6A)
None
None
 0.32A 3huoA-5hx9A:
41.9		 3huoA-5hx9A:
46.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ihv BETA-LACTAMASE

(Burkholderia
ambifaria) 		PF13354
(Beta-lactamase2) 		6 CYH A  46
GLY A  47
ASN A 147
LYS A 211
GLY A 213
GLY A 215
 None
EDO  A 302 (-3.6A)
None
EDO  A 302 (-2.8A)
None
None
 0.33A 3huoA-5ihvA:
42.1		 3huoA-5ihvA:
49.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ll7 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 6 LYS A  73
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 6YV  A 301 ( 3.8A)
6YV  A 301 (-3.7A)
6YV  A 301 (-2.9A)
6YV  A 301 (-3.6A)
6YV  A 301 (-3.6A)
6YV  A 301 ( 4.0A)
 0.58A 3huoA-5ll7A:
42.8		 3huoA-5ll7A:
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.
5tfq BETA-LACTAMASE

(Bacteroides
cellulosilyticus) 		PF13354
(Beta-lactamase2) 		6 LYS A  51
ASN A 114
LYS A 215
THR A 216
GLY A 217
SER A 218
 None
None
PO4  A 301 (-3.2A)
PO4  A 301 ( 3.6A)
PO4  A 301 (-3.3A)
PO4  A 301 (-2.7A)
 0.38A 3huoA-5tfqA:
33.2		 3huoA-5tfqA:
26.33
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.
5tfq BETA-LACTAMASE

(Bacteroides
cellulosilyticus) 		PF13354
(Beta-lactamase2) 		6 LYS A  51
LYS A 215
THR A 216
GLY A 217
SER A 218
ASP A 220
 None
PO4  A 301 (-3.2A)
PO4  A 301 ( 3.6A)
PO4  A 301 (-3.3A)
PO4  A 301 (-2.7A)
None
 0.89A 3huoA-5tfqA:
33.2		 3huoA-5tfqA:
26.33
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.
5tr7 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Vibrio cholerae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		5 LYS A  69
ASN A 131
LYS A 232
THR A 233
GLY A 234
 None
 0.55A 3huoA-5tr7A:
22.1		 3huoA-5tr7A:
23.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tro PENICILLIN-BINDING
PROTEIN 1

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 LYS A 317
ASN A 370
LYS A 513
THR A 514
GLY A 515
 None
 0.35A 3huoA-5troA:
17.3		 3huoA-5troA:
18.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u2g PENICILLIN-BINDING
PROTEIN 1A

(Haemophilus
influenzae) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		5 LYS A 455
ASN A 512
LYS A 728
THR A 729
GLY A 730
 None
None
None
CL  A 910 ( 4.2A)
None
 0.59A 3huoA-5u2gA:
17.4		 3huoA-5u2gA:
15.53
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) 		8 CYH A  57
ASN A 121
ASN A 159
THR A 226
GLY A 227
SER A 228
GLY A 229
ASP A 230
 None
None
None
None
None
EDO  A 304 ( 4.8A)
EDO  A 304 (-3.4A)
EDO  A 304 (-3.7A)
 0.67A 3huoA-5vpqA:
41.5		 3huoA-5vpqA:
48.39
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 CYH A  57
GLY A 227
ASN A 121
ASN A 159
GLY A 229
ASP A 230
 None
None
None
None
EDO  A 304 (-3.4A)
EDO  A 304 (-3.7A)
 1.17A 3huoA-5vpqA:
41.5		 3huoA-5vpqA:
48.39
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.
5x5g BETA-LACTAMASE

(Serratia
marcescens) 		PF13354
(Beta-lactamase2) 		6 LYS A  59
ASN A 122
LYS A 224
THR A 225
GLY A 226
SER A 227
 OP0  A 305 (-3.6A)
OP0  A 305 (-3.1A)
OP0  A 305 (-3.4A)
OP0  A 305 (-3.7A)
OP0  A 305 (-3.2A)
OP0  A 305 (-2.4A)
 0.69A 3huoA-5x5gA:
34.8		 3huoA-5x5gA:
25.86
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.
5x5g BETA-LACTAMASE

(Serratia
marcescens) 		PF13354
(Beta-lactamase2) 		6 LYS A  59
LYS A 224
THR A 225
GLY A 226
SER A 227
ASP A 229
 OP0  A 305 (-3.6A)
OP0  A 305 (-3.4A)
OP0  A 305 (-3.7A)
OP0  A 305 (-3.2A)
OP0  A 305 (-2.4A)
OP0  A 305 (-3.6A)
 1.01A 3huoA-5x5gA:
34.8		 3huoA-5x5gA:
25.86
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.
5za2 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 5 LYS A  67
ASN A 152
LYS A 314
THR A 315
GLY A 316
 NXL  A 401 ( 3.8A)
NXL  A 401 (-3.6A)
NXL  A 401 (-2.9A)
NXL  A 401 (-4.0A)
NXL  A 401 (-3.4A)
 0.32A 3huoA-5za2A:
15.6		 3huoA-5za2A:
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 6 LYS A  61
ASN A 120
LYS A 222
THR A 223
GLY A 224
ASP A 227
 CES  A 301 ( 4.1A)
CES  A 301 (-3.3A)
None
CES  A 301 (-3.6A)
CES  A 301 (-3.2A)
None
 0.75A 3huoA-5zqeA:
22.1		 3huoA-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) 		5 LYS A  71
ASN A 127
LYS A 232
THR A 233
GLY A 234
 SEE  A  68 ( 2.8A)
SEE  A  68 ( 3.6A)
SEE  A  68 ( 3.5A)
None
SEE  A  68 ( 3.9A)
 0.39A 3huoA-6aziA:
21.6		 3huoA-6aziA:
27.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bu3 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 10 CYH A  69
LYS A  73
ASN A 104
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
SER A 237
GLY A 238
 None
3GK  A 301 ( 4.0A)
3GK  A 301 ( 3.2A)
3GK  A 301 (-3.5A)
3GK  A 301 (-3.9A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.7A)
3GK  A 301 (-3.4A)
3GK  A 301 ( 2.7A)
3GK  A 301 (-3.6A)
 0.27A 3huoA-6bu3A:
49.4		 3huoA-6bu3A:
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.
6fm7 BETA-LACTAMASE

(Aeromonas
enteropelogenes) 		no annotation 6 LYS A  65
ASN A 150
LYS A 312
THR A 313
GLY A 314
SER A 315
 NXL  A 401 ( 3.9A)
NXL  A 401 (-3.5A)
NXL  A 401 (-3.6A)
NXL  A 401 (-3.5A)
NXL  A 401 (-3.3A)
NXL  A 401 (-3.4A)
 0.48A 3huoA-6fm7A:
15.5		 3huoA-6fm7A:
undetectable