SIMILAR PATTERNS OF AMINO ACIDS FOR 3HLW_B_CE3B302_1

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
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) 		6 TYR A 105
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
 None
 0.66A 3hlwB-1alqA:
28.0		 3hlwB-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 SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
 None
 0.36A 3hlwB-1bsgA:
42.9		 3hlwB-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) 		7 SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
 None
 0.67A 3hlwB-1bueA:
41.2		 3hlwB-1bueA:
48.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bue PROTEIN
(IMIPENEM-HYDROLYSIN
G BETA-LACTAMASE)

(Enterobacter
cloacae) 		PF13354
(Beta-lactamase2) 		7 SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 239
 None
 0.90A 3hlwB-1bueA:
41.2		 3hlwB-1bueA:
48.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bue PROTEIN
(IMIPENEM-HYDROLYSIN
G BETA-LACTAMASE)

(Enterobacter
cloacae) 		PF13354
(Beta-lactamase2) 		6 SER A 130
THR A 216
LYS A 234
THR A 235
GLY A 236
SER A 237
 None
 0.70A 3hlwB-1bueA:
41.2		 3hlwB-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) 		7 SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
 None
 0.61A 3hlwB-1dy6A:
41.3		 3hlwB-1dy6A:
47.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dy6 CARBAPENEM-HYDROLYSI
NG BETA-LACTAMASE
SME-1

(Serratia
marcescens) 		PF13354
(Beta-lactamase2) 		7 SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 239
 None
 0.85A 3hlwB-1dy6A:
41.3		 3hlwB-1dy6A:
47.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dy6 CARBAPENEM-HYDROLYSI
NG BETA-LACTAMASE
SME-1

(Serratia
marcescens) 		PF13354
(Beta-lactamase2) 		6 SER A 130
THR A 216
LYS A 234
THR A 235
GLY A 236
SER A 237
 None
 0.72A 3hlwB-1dy6A:
41.3		 3hlwB-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) 		6 SER A 130
ASN A 132
THR A 216
LYS A 234
THR A 235
GLY A 236
 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)
 0.33A 3hlwB-1e25A:
32.9		 3hlwB-1e25A:
28.72
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 SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
SER A 237
GLY A 238
 MES  A1000 (-2.7A)
None
None
MES  A1000 (-3.7A)
MES  A1000 (-2.9A)
MES  A1000 (-3.7A)
MES  A1000 (-3.1A)
MES  A1000 (-2.7A)
None
 0.59A 3hlwB-1hzoA:
46.4		 3hlwB-1hzoA:
65.54
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 TYR A 105
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
 MES  A1000 (-3.9A)
MES  A1000 (-2.7A)
None
None
MES  A1000 (-3.7A)
MES  A1000 (-2.9A)
MES  A1000 (-3.7A)
MES  A1000 (-3.1A)
None
 0.57A 3hlwB-1hzoA:
46.4		 3hlwB-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) 		9 ASN A 104
TYR A 105
SER A 130
ASN A 132
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
 CFX  A1300 (-3.9A)
CFX  A1300 ( 4.9A)
CFX  A1300 (-3.1A)
CFX  A1300 (-3.0A)
CFX  A1300 (-3.2A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.6A)
CFX  A1300 (-3.3A)
CFX  A1300 ( 4.1A)
 0.45A 3hlwB-1i2wA:
41.4		 3hlwB-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) 		7 SER A  96
THR A 199
LYS A 213
THR A 214
GLY A 215
SER A 216
GLY A 217
 NA  A 600 (-3.1A)
NA  A 600 ( 4.5A)
NA  A 600 (-3.4A)
NA  A 600 (-3.9A)
NA  A 600 ( 3.6A)
CL  A 601 (-3.0A)
None
 0.30A 3hlwB-1j9mA:
21.9		 3hlwB-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 SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
SER A 237
 SO4  A1002 (-3.1A)
None
None
SO4  A1002 ( 4.8A)
SO4  A1002 (-3.6A)
SO4  A1002 (-3.6A)
SO4  A1002 (-3.2A)
SO4  A1002 (-2.7A)
 0.40A 3hlwB-1n4oA:
40.7		 3hlwB-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 SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
 0.64A 3hlwB-1n9bA:
35.7		 3hlwB-1n9bA:
39.93
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 TYR A 105
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
 EPE  A 400 (-3.6A)
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.1A)
 0.65A 3hlwB-1n9bA:
35.7		 3hlwB-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.
1w5d PENICILLIN-BINDING
PROTEIN

(Bacillus
subtilis) 		PF02113
(Peptidase_S13) 		6 SER A 299
ASN A 301
THR A 394
LYS A 411
THR A 412
GLY A 413
 None
 0.32A 3hlwB-1w5dA:
21.0		 3hlwB-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 SER A 119
ASN A 121
THR A 221
LYS A 239
THR A 240
GLY A 241
 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)
 0.40A 3hlwB-1xp4A:
20.7		 3hlwB-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) 		7 TYR A 105
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
GLY A 238
 None
 0.48A 3hlwB-1zg4A:
38.4		 3hlwB-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.
2c6w PENICILLIN-BINDING
PROTEIN 1A

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		6 SER B 428
ASN B 430
THR B 543
LYS B 557
THR B 558
GLY B 559
 CL  B 704 (-3.4A)
None
CL  B 704 ( 4.8A)
None
CL  B 704 (-4.5A)
CL  B 704 ( 4.0A)
 0.50A 3hlwB-2c6wB:
17.0		 3hlwB-2c6wB:
23.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2cc1 BETA-LACTAMASE

(Mycolicibacterium
fortuitum) 		PF13354
(Beta-lactamase2) 		7 SER A 130
ASN A 105
LYS A 234
THR A 235
GLY A 236
SER A 237
GLY A 238
 None
 1.16A 3hlwB-2cc1A:
40.7		 3hlwB-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 SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
 None
 0.34A 3hlwB-2cc1A:
40.7		 3hlwB-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 SER A 130
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
SER A 237
GLY A 238
 None
 0.58A 3hlwB-2cc1A:
40.7		 3hlwB-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 SER A 306
ASN A 308
LYS A 417
THR A 418
GLY A 419
 DGF  A 501 (-3.3A)
DGF  A 501 (-3.0A)
None
None
DGF  A 501 (-3.4A)
 0.39A 3hlwB-2exaA:
17.6		 3hlwB-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) 		7 TYR B 498
SER B 516
ASN B 518
THR B 629
LYS B 651
THR B 652
GLY B 653
 None
 0.58A 3hlwB-2fffB:
16.9		 3hlwB-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 SER A 439
ASN A 441
LYS A 528
THR A 529
GLY A 530
GLY A 532
 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)
None
 0.32A 3hlwB-2iwbA:
19.3		 3hlwB-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) 		6 SER A 122
ASN A 124
THR A 202
LYS A 219
THR A 220
GLY A 221
 None
 0.82A 3hlwB-2j7vA:
33.7		 3hlwB-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.
2jch PENICILLIN-BINDING
PROTEIN 1B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		7 TYR A 498
SER A 516
ASN A 518
THR A 629
LYS A 651
THR A 652
GLY A 653
 PL7  A1793 (-4.3A)
PL7  A1793 (-3.0A)
PL7  A1793 (-3.2A)
PL7  A1793 ( 4.1A)
PL7  A1793 ( 4.1A)
PL7  A1793 (-3.9A)
PL7  A1793 (-3.3A)
 0.69A 3hlwB-2jchA:
15.4		 3hlwB-2jchA:
17.68
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.
2rdl CHYMASE 2

(Mesocricetus
auratus) 		PF00089
(Trypsin) 		6 GLY A 197
ASN A 189
THR A 229
GLY A 196
SER A 195
GLY A 193
 None
 1.49A 3hlwB-2rdlA:
undetectable		 3hlwB-2rdlA:
25.09
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.
2v2f PENICILLIN BINDING
PROTEIN 1A

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		6 SER F 428
ASN F 430
THR F 543
LYS F 557
THR F 558
GLY F 559
 MES  F1653 (-3.1A)
None
MES  F1653 (-3.7A)
MES  F1653 ( 4.0A)
MES  F1653 (-3.8A)
MES  F1653 (-3.6A)
 0.48A 3hlwB-2v2fF:
17.8		 3hlwB-2v2fF:
24.69
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.
2wae PENICILLIN-BINDING
PROTEIN 2B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		6 SER A 443
ASN A 445
THR A 600
LYS A 615
THR A 616
GLY A 617
 None
 0.40A 3hlwB-2waeA:
15.8		 3hlwB-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) 		11 ASN A 104
TYR A 105
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
SER A 237
GLY A 238
 None
 0.40A 3hlwB-2wyxA:
46.0		 3hlwB-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) 		8 GLY A 236
ASN A 104
TYR A 105
SER A 130
ASN A 170
THR A 216
LYS A 234
GLY A 238
 None
 1.33A 3hlwB-2wyxA:
46.0		 3hlwB-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 SER A 234
ASN A 236
LYS A 375
GLY A 377
SER A 378
 J01  A 600 (-3.4A)
None
J01  A 600 ( 4.4A)
J01  A 600 ( 3.8A)
J01  A 600 (-3.4A)
 0.37A 3hlwB-2xfsA:
22.8		 3hlwB-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.
2z2m PENICILLIN-BINDING
PROTEIN 2X

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		5 SER B 395
ASN B 397
THR B 526
LYS B 547
GLY B 549
 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)
 0.28A 3hlwB-2z2mB:
16.8		 3hlwB-2z2mB:
24.03
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.
3a3i PENICILLIN-BINDING
PROTEIN 4

(Haemophilus
influenzae) 		PF02113
(Peptidase_S13) 		6 SER A 310
ASN A 312
THR A 401
LYS A 420
THR A 421
GLY A 422
 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)
 0.22A 3hlwB-3a3iA:
20.9		 3hlwB-3a3iA:
21.79
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.
3a3i PENICILLIN-BINDING
PROTEIN 4

(Haemophilus
influenzae) 		PF02113
(Peptidase_S13) 		6 SER A 310
THR A 401
LYS A 420
THR A 421
GLY A 422
SER A 423
 AIX  A 501 (-2.8A)
AIX  A 501 ( 4.0A)
AIX  A 501 ( 3.8A)
AIX  A 501 (-3.4A)
AIX  A 501 (-3.4A)
AIX  A 501 (-2.5A)
 0.73A 3hlwB-3a3iA:
20.9		 3hlwB-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 ASN A 104
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
 MER  A 301 ( 4.1A)
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)
 0.43A 3hlwB-3bfgA:
46.9		 3hlwB-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) 		8 SER A 133
ASN A 135
ASN A 173
THR A 219
LYS A 237
THR A 238
GLY A 239
GLY A 241
 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)
None
 0.34A 3hlwB-3bydA:
47.1		 3hlwB-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.
3dwk PENICILLIN-BINDING
PROTEIN 2

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		6 SER A 454
ASN A 456
LYS A 583
THR A 584
GLY A 585
GLY A 587
 SO4  A  26 (-3.1A)
None
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.6A)
SO4  A  26 (-3.3A)
None
 0.47A 3hlwB-3dwkA:
18.1		 3hlwB-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) 		7 SER A 142
ASN A 186
THR A 232
LYS A 250
THR A 251
GLY A 252
GLY A 254
 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)
None
 0.36A 3hlwB-3dwzA:
41.4		 3hlwB-3dwzA:
44.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lez BETA-LACTAMASE

(Oceanobacillus
iheyensis) 		PF13354
(Beta-lactamase2) 		8 TYR A 118
ASN A 145
ASN A 183
THR A 229
LYS A 247
THR A 248
GLY A 249
GLY A 251
 EPE  A 305 (-3.3A)
None
None
EPE  A 305 ( 3.9A)
EPE  A 305 (-3.1A)
EPE  A 305 (-3.6A)
EPE  A 305 (-3.4A)
None
 0.56A 3hlwB-3lezA:
41.5		 3hlwB-3lezA:
43.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lez BETA-LACTAMASE

(Oceanobacillus
iheyensis) 		PF13354
(Beta-lactamase2) 		8 TYR A 118
SER A 143
ASN A 145
THR A 229
LYS A 247
THR A 248
GLY A 249
GLY A 251
 EPE  A 305 (-3.3A)
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)
None
 0.64A 3hlwB-3lezA:
41.5		 3hlwB-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 SER A 115
ASN A 117
LYS A 220
THR A 221
GLY A 222
 CIT  A   1 (-2.8A)
None
CIT  A   1 ( 3.7A)
CIT  A   1 (-3.7A)
CIT  A   1 (-3.3A)
 0.27A 3hlwB-3mfdA:
22.4		 3hlwB-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) 		6 SER A 122
ASN A 162
THR A 208
LYS A 226
THR A 227
GLY A 228
 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)
 0.49A 3hlwB-3p09A:
39.6		 3hlwB-3p09A:
30.77
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) 		6 TYR A  98
SER A 122
THR A 208
LYS A 226
THR A 227
GLY A 228
 None
SO4  A 288 (-2.7A)
SO4  A 288 ( 4.8A)
SO4  A 288 (-3.5A)
SO4  A 288 (-3.6A)
SO4  A 288 (-3.3A)
 0.57A 3hlwB-3p09A:
39.6		 3hlwB-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 SER A 437
ASN A 439
LYS A 526
THR A 527
GLY A 528
GLY A 530
 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 ( 3.9A)
 0.30A 3hlwB-3q7zA:
18.2		 3hlwB-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) 		7 SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 236
GLY A 238
 None
 0.44A 3hlwB-3qhyA:
42.0		 3hlwB-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.
3v39 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Bdellovibrio
bacteriovorus) 		PF02113
(Peptidase_S13) 		6 SER A 251
ASN A 253
THR A 342
LYS A 357
THR A 358
GLY A 359
 TAU  A 501 (-2.6A)
TAU  A 501 (-3.1A)
None
TAU  A 501 ( 4.3A)
None
TAU  A 501 (-3.5A)
 0.28A 3hlwB-3v39A:
17.5		 3hlwB-3v39A:
20.96
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.
3vsk PENICILLIN-BINDING
PROTEIN 3

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		6 SER A 448
ASN A 450
THR A 603
LYS A 618
THR A 619
GLY A 620
 None
 0.63A 3hlwB-3vskA:
16.9		 3hlwB-3vskA:
18.27
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 TYR A 105
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
GLY A 238
 None
 0.36A 3hlwB-3w4qA:
44.3		 3hlwB-3w4qA:
57.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zdj ENCA BETA-LACTAMASE

(synthetic
construct) 		PF13354
(Beta-lactamase2) 		8 TYR A 105
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
GLY A 238
 None
SO4  A1291 (-3.1A)
None
None
SO4  A1291 (-3.3A)
SO4  A1291 (-3.6A)
SO4  A1291 (-3.3A)
None
 0.49A 3hlwB-3zdjA:
38.9		 3hlwB-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) 		7 SER B 449
ASN B 451
THR B 561
LYS B 575
THR B 576
GLY B 577
SER B 578
 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)
AIX  B 800 (-3.0A)
 0.51A 3hlwB-3zg8B:
17.3		 3hlwB-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) 		10 TYR A 105
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
SER A 237
GLY A 238
 None
 0.37A 3hlwB-3znyA:
47.8		 3hlwB-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) 		6 SER A 298
ASN A 300
THR A 393
LYS A 410
THR A 411
GLY A 412
 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)
 0.33A 3hlwB-3zvtA:
21.1		 3hlwB-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) 		6 GLY A 236
TYR A 105
SER A 130
THR A 216
LYS A 234
GLY A 238
 PEG  A 307 (-2.7A)
PEG  A 307 ( 3.2A)
PEG  A 307 (-2.4A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 3.4A)
None
 1.50A 3hlwB-4c6yA:
43.6		 3hlwB-4c6yA:
58.17
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 TYR A 105
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
 PEG  A 307 ( 3.2A)
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)
None
 0.38A 3hlwB-4c6yA:
43.6		 3hlwB-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) 		9 TYR A 105
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
 None
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)
None
 0.41A 3hlwB-4c75A:
42.9		 3hlwB-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) 		6 SER A 130
ASN A 132
THR A 216
LYS A 234
THR A 235
GLY A 236
 None
 0.48A 3hlwB-4d2oA:
32.5		 3hlwB-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) 		7 SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
 MER  A 401 (-2.8A)
MER  A 401 (-3.2A)
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)
 0.50A 3hlwB-4ev4A:
42.4		 3hlwB-4ev4A:
48.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1

(Serratia
fonticola) 		PF13354
(Beta-lactamase2) 		6 SER A 130
ASN A 132
THR A 216
LYS A 234
THR A 235
GLY A 239
 MER  A 401 (-2.8A)
MER  A 401 (-3.2A)
MER  A 401 ( 3.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.5A)
None
 0.82A 3hlwB-4ev4A:
42.4		 3hlwB-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 SER A 110
ASN A 112
LYS A 213
THR A 214
GLY A 215
 SO4  A 301 (-3.1A)
None
SO4  A 301 (-3.0A)
SO4  A 301 (-3.8A)
SO4  A 301 (-3.5A)
 0.30A 3hlwB-4ewfA:
32.2		 3hlwB-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.
4gn2 OXACILLINASE

(Pseudomonas
aeruginosa) 		PF00905
(Transpeptidase) 		5 SER A 112
LYS A 208
THR A 209
GLY A 210
GLY A 212
 KCX  A  66 ( 3.5A)
KCX  A  66 ( 4.5A)
None
None
None
 0.23A 3hlwB-4gn2A:
18.0		 3hlwB-4gn2A:
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.
4hes BETA-LACTAMASE CLASS
A-LIKE PROTEIN

(Veillonella
parvula) 		PF13354
(Beta-lactamase2) 		5 SER A 117
ASN A 119
LYS A 217
THR A 218
GLY A 219
 GOL  A 301 (-2.7A)
None
GOL  A 301 ( 4.6A)
GOL  A 301 (-3.7A)
GOL  A 301 (-3.5A)
 0.31A 3hlwB-4hesA:
29.5		 3hlwB-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) 		6 SER A 237
ASN A 239
THR A 383
LYS A 397
THR A 398
GLY A 399
 None
 0.29A 3hlwB-4mnrA:
17.4		 3hlwB-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.
4mt1 DRUG EFFLUX PROTEIN

(Neisseria
gonorrhoeae) 		PF00873
(ACR_tran) 		6 GLY A 609
SER A 274
LYS A 581
GLY A 616
SER A 615
GLY A 614
 None
 1.41A 3hlwB-4mt1A:
undetectable		 3hlwB-4mt1A:
14.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oon PENICILLIN-BINDING
PROTEIN 1A

(Pseudomonas
aeruginosa) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		6 SER A 520
ASN A 522
THR A 680
LYS A 695
THR A 696
GLY A 697
 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)
 0.69A 3hlwB-4oonA:
16.7		 3hlwB-4oonA:
16.23
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.
4ovd PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Atopobium
parvulum) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		7 SER A 361
ASN A 363
THR A 486
LYS A 500
THR A 501
GLY A 502
GLY A 504
 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)
None
 0.77A 3hlwB-4ovdA:
17.4		 3hlwB-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 SER A 176
ASN A 178
LYS A 282
THR A 283
GLY A 284
 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)
 0.31A 3hlwB-4pprA:
20.1		 3hlwB-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 SER A 737
ASN A 739
THR A 876
LYS A 890
THR A 891
GLY A 892
 NXU  A1001 (-3.2A)
NXU  A1001 (-3.5A)
NXU  A1001 (-4.0A)
NXU  A1001 (-3.5A)
NXU  A1001 (-3.3A)
NXU  A1001 (-3.4A)
 0.38A 3hlwB-4ra7A:
17.0		 3hlwB-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 SER A 124
ASN A 126
LYS A 230
THR A 231
GLY A 232
 None
 0.31A 3hlwB-4ryeA:
21.4		 3hlwB-4ryeA:
25.52
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 SER A 131
ASN A 133
ASN A 171
THR A 215
LYS A 233
THR A 234
GLY A 235
GLY A 237
 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)
None
 0.41A 3hlwB-4yfmA:
42.2		 3hlwB-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) 		6 SER A 454
ASN A 456
THR A 554
LYS A 568
THR A 569
GLY A 570
 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)
 0.33A 3hlwB-4ztkA:
16.7		 3hlwB-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 SER A 260
ASN A 262
ASN A 300
LYS A 364
GLY A 366
GLY A 368
 None
 0.50A 3hlwB-5aqaA:
37.5		 3hlwB-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) 		6 SER A 239
ASN A 241
THR A 330
LYS A 345
THR A 346
GLY A 347
 None
 0.28A 3hlwB-5cerA:
18.2		 3hlwB-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.
5ctm BETA-LACTAMASE

(Bacillus
pumilus) 		PF00905
(Transpeptidase) 		6 SER A 149
LYS A 239
THR A 240
GLY A 241
SER A 242
GLY A 243
 FLC  A 301 (-2.5A)
FLC  A 301 (-3.0A)
FLC  A 301 (-3.8A)
FLC  A 301 (-3.2A)
FLC  A 301 (-2.8A)
None
 0.69A 3hlwB-5ctmA:
18.9		 3hlwB-5ctmA:
22.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cxw PENICILLIN-BINDING
PROTEIN 1A

(Mycobacterium
tuberculosis) 		PF00905
(Transpeptidase) 		5 SER A 398
ASN A 400
LYS A 539
THR A 540
GLY A 541
 35P  A 702 (-2.9A)
35P  A 702 (-3.1A)
35P  A 702 (-3.3A)
35P  A 702 (-3.5A)
35P  A 702 (-3.5A)
 0.33A 3hlwB-5cxwA:
18.0		 3hlwB-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 TYR A  82
SER A 107
ASN A 109
ASN A 147
THR A 193
LYS A 211
THR A 212
GLY A 213
SER A 214
GLY A 215
 None
 0.55A 3hlwB-5e2eA:
44.4		 3hlwB-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.
5e31 PENICILLIN BINDING
PROTEIN 2 PRIME

(Enterococcus
faecium) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF05223
(MecA_N) 		6 SER A 480
ASN A 482
THR A 603
LYS A 617
THR A 618
GLY A 619
 None
 0.60A 3hlwB-5e31A:
16.7		 3hlwB-5e31A:
18.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e43 BETA-LACTAMASE

(Streptosporangium
roseum) 		PF13354
(Beta-lactamase2) 		7 SER A 131
ASN A 133
ASN A 171
THR A 217
LYS A 235
THR A 236
GLY A 237
 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)
 0.31A 3hlwB-5e43A:
42.9		 3hlwB-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) 		6 THR A 209
LYS A 227
THR A 228
GLY A 229
SER A 230
GLY A 235
 CIT  A 303 (-3.2A)
CIT  A 303 (-3.5A)
CIT  A 303 (-3.6A)
CIT  A 303 (-3.5A)
CIT  A 303 (-2.5A)
None
 1.21A 3hlwB-5eoeA:
40.5		 3hlwB-5eoeA:
41.42
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) 		9 TYR A  97
SER A 123
ASN A 125
ASN A 163
THR A 209
LYS A 227
THR A 228
GLY A 229
SER A 230
 CIT  A 303 (-4.1A)
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)
CIT  A 303 (-2.5A)
 0.49A 3hlwB-5eoeA:
40.5		 3hlwB-5eoeA:
41.42
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) 		6 SER A 125
ASN A 127
THR A 211
LYS A 229
THR A 230
GLY A 231
 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)
 0.23A 3hlwB-5f83A:
39.3		 3hlwB-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 TYR A 105
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
 None
 0.41A 3hlwB-5gl9A:
45.0		 3hlwB-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) 		6 SER A 572
ASN A 574
THR A 682
LYS A 698
THR A 699
GLY A 700
 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)
 0.53A 3hlwB-5hlbA:
18.3		 3hlwB-5hlbA:
17.97
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) 		5 GLY A  70
ASN A 170
LYS A 234
GLY A 236
GLY A 238
 EDO  A 303 (-3.6A)
None
EDO  A 303 (-2.6A)
None
None
 0.28A 3hlwB-5hx9A:
41.8		 3hlwB-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) 		5 GLY A  47
ASN A 147
LYS A 211
GLY A 213
GLY A 215
 EDO  A 302 (-3.6A)
None
EDO  A 302 (-2.8A)
None
None
 0.29A 3hlwB-5ihvA:
42.2		 3hlwB-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.
5ilb PROTEASE DO-LIKE 2,
CHLOROPLASTIC,PROTEA
SE DO-LIKE 9

(Arabidopsis
thaliana) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		6 GLY A 266
ASN A 267
THR A 143
GLY A 144
SER A 145
GLY A 270
 None
 1.26A 3hlwB-5ilbA:
undetectable		 3hlwB-5ilbA:
20.04
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.
5ll7 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 7 SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
 6YV  A 301 (-2.6A)
6YV  A 301 (-3.7A)
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)
 0.66A 3hlwB-5ll7A:
43.0		 3hlwB-5ll7A:
16.60
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.
5tfq BETA-LACTAMASE

(Bacteroides
cellulosilyticus) 		PF13354
(Beta-lactamase2) 		8 TYR A  85
SER A 112
ASN A 114
THR A 197
LYS A 215
THR A 216
GLY A 217
SER A 218
 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)
PO4  A 301 (-2.7A)
 0.46A 3hlwB-5tfqA:
33.2		 3hlwB-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.
5tro PENICILLIN-BINDING
PROTEIN 1

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 SER A 368
ASN A 370
LYS A 513
THR A 514
GLY A 515
 None
 0.30A 3hlwB-5troA:
17.3		 3hlwB-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) 		6 SER A 510
ASN A 512
THR A 712
LYS A 728
THR A 729
GLY A 730
 None
None
None
None
CL  A 910 ( 4.2A)
None
 0.60A 3hlwB-5u2gA:
17.4		 3hlwB-5u2gA:
15.53
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.
5u47 PENICILLIN BINDING
PROTEIN 2X

(Streptococcus
thermophilus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF03793
(PASTA) 		5 SER A 402
ASN A 404
THR A 532
LYS A 553
GLY A 555
 None
 0.32A 3hlwB-5u47A:
17.2		 3hlwB-5u47A:
17.23
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 GLY A 227
SER A 119
ASN A 121
ASN A 159
THR A 206
GLY A 229
 None
None
None
None
None
EDO  A 304 (-3.4A)
 1.23A 3hlwB-5vpqA:
41.6		 3hlwB-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) 		8 SER A 119
ASN A 121
ASN A 159
THR A 206
THR A 226
GLY A 227
SER A 228
GLY A 229
 None
None
None
None
None
None
EDO  A 304 ( 4.8A)
EDO  A 304 (-3.4A)
 0.73A 3hlwB-5vpqA:
41.6		 3hlwB-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) 		7 SER A 120
ASN A 122
THR A 206
LYS A 224
THR A 225
GLY A 226
SER A 227
 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)
OP0  A 305 (-2.4A)
 0.57A 3hlwB-5x5gA:
34.9		 3hlwB-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.
5zqe -

(-) 		no annotation 6 SER A 118
ASN A 120
THR A 208
LYS A 222
THR A 223
GLY A 224
 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)
 0.33A 3hlwB-5zqeA:
22.2		 3hlwB-5zqeA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6azi D-ALANYL-D-ALANINE
ENDOPEPTIDASE

(Enterobacter
cloacae) 		PF00768
(Peptidase_S11) 		6 SER A 125
ASN A 127
THR A 217
LYS A 232
THR A 233
GLY A 234
 SEE  A  68 ( 1.4A)
SEE  A  68 ( 3.6A)
None
SEE  A  68 ( 3.5A)
None
SEE  A  68 ( 3.9A)
 0.36A 3hlwB-6aziA:
21.6		 3hlwB-6aziA:
27.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6bu3 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 11 ASN A 104
TYR A 105
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
SER A 237
GLY A 238
 3GK  A 301 ( 3.2A)
3GK  A 302 ( 3.5A)
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)
3GK  A 301 ( 2.7A)
3GK  A 301 (-3.6A)
 0.34A 3hlwB-6bu3A:
49.6		 3hlwB-6bu3A:
97.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6bu3 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 7 GLY A 236
ASN A 104
TYR A 105
SER A 130
THR A 216
LYS A 234
GLY A 238
 3GK  A 301 (-3.4A)
3GK  A 301 ( 3.2A)
3GK  A 302 ( 3.5A)
3GK  A 301 (-2.7A)
3GK  A 302 ( 4.3A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.6A)
 1.42A 3hlwB-6bu3A:
49.6		 3hlwB-6bu3A:
97.50