SIMILAR PATTERNS OF AMINO ACIDS FOR 3HLW_A_CE3A301

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) 		7 LYS A  73
TYR A 105
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
 None
 0.65A 3hlwA-1alqA:
15.2		 3hlwA-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 LYS A  73
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 236
GLY A 238
 None
 0.42A 3hlwA-1bsgA:
43.0		 3hlwA-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 LYS A  73
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 236
 None
 0.71A 3hlwA-1bueA:
41.0		 3hlwA-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 LYS A  73
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 236
 None
 0.66A 3hlwA-1dy6A:
41.3		 3hlwA-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
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 239
 None
 0.85A 3hlwA-1dy6A:
41.3		 3hlwA-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
ASN A 170
THR A 216
LYS A 234
GLY A 236
SER A 237
 None
 0.81A 3hlwA-1dy6A:
41.3		 3hlwA-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 LYS A  73
SER A 130
ASN A 132
THR A 216
LYS A 234
GLY A 236
 None
SO4  A 500 (-2.6A)
None
SO4  A 500 ( 4.0A)
SO4  A 500 (-3.2A)
SO4  A 500 (-3.5A)
 0.38A 3hlwA-1e25A:
33.0		 3hlwA-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) 		6 LYS A  73
TYR A 105
ASN A 132
ASN A 170
GLY A 236
GLY A 238
 SO4  A 400 ( 4.7A)
None
None
None
SO4  A 400 (-3.0A)
None
 0.63A 3hlwA-1g68A:
39.5		 3hlwA-1g68A:
39.11
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) 		6 LYS A  73
TYR A 105
SER A 130
ASN A 132
GLY A 236
GLY A 238
 SO4  A 400 ( 4.7A)
None
SO4  A 400 (-2.7A)
None
SO4  A 400 (-3.0A)
None
 0.65A 3hlwA-1g68A:
39.5		 3hlwA-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
TYR A 105
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 236
GLY A 238
 None
MES  A1000 (-3.9A)
MES  A1000 (-2.7A)
None
None
MES  A1000 (-3.7A)
MES  A1000 (-2.9A)
MES  A1000 (-3.1A)
None
 0.65A 3hlwA-1hzoA:
46.3		 3hlwA-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) 		8 SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
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 (-3.1A)
MES  A1000 (-2.7A)
None
 0.62A 3hlwA-1hzoA:
46.3		 3hlwA-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 GLY A 236
ASN A 104
TYR A 105
SER A 130
THR A 216
LYS A 234
GLY A 238
 CFX  A1300 (-3.3A)
CFX  A1300 (-3.9A)
CFX  A1300 ( 4.9A)
CFX  A1300 (-3.1A)
CFX  A1300 (-3.2A)
CFX  A1300 ( 3.9A)
CFX  A1300 ( 4.1A)
 1.48A 3hlwA-1i2wA:
41.4		 3hlwA-1i2wA:
42.35
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 LYS A  73
ASN A 104
TYR A 105
SER A 130
ASN A 132
THR A 216
LYS A 234
GLY A 236
GLY A 238
 CFX  A1300 (-2.6A)
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 (-3.3A)
CFX  A1300 ( 4.1A)
 0.42A 3hlwA-1i2wA:
41.4		 3hlwA-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) 		6 SER A  96
THR A 199
LYS A 213
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 ( 3.6A)
CL  A 601 (-3.0A)
None
 0.30A 3hlwA-1j9mA:
21.9		 3hlwA-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 LYS A  73
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 236
SER A 237
 SO4  A1002 ( 4.9A)
SO4  A1002 (-3.1A)
None
None
SO4  A1002 ( 4.8A)
SO4  A1002 (-3.6A)
SO4  A1002 (-3.2A)
SO4  A1002 (-2.7A)
 0.44A 3hlwA-1n4oA:
40.5		 3hlwA-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) 		7 LYS A  73
TYR A 105
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
 None
EPE  A 400 (-3.6A)
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.1A)
 0.64A 3hlwA-1n9bA:
35.6		 3hlwA-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 LYS A  55
SER A 299
ASN A 301
THR A 394
LYS A 411
GLY A 413
 None
 0.44A 3hlwA-1w5dA:
21.0		 3hlwA-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
SER A 119
ASN A 121
THR A 221
LYS A 239
GLY A 241
 None
SO4  A 464 (-3.4A)
None
SO4  A 464 ( 4.0A)
SO4  A 464 (-3.5A)
SO4  A 464 ( 3.8A)
 0.42A 3hlwA-1xp4A:
20.7		 3hlwA-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) 		8 LYS A  73
TYR A 105
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
GLY A 238
 None
 0.51A 3hlwA-1zg4A:
38.3		 3hlwA-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 LYS B 373
SER B 428
ASN B 430
THR B 543
LYS B 557
GLY B 559
 None
CL  B 704 (-3.4A)
None
CL  B 704 ( 4.8A)
None
CL  B 704 ( 4.0A)
 0.67A 3hlwA-2c6wB:
16.8		 3hlwA-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) 		8 LYS A  73
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 236
GLY A 238
 None
 0.44A 3hlwA-2cc1A:
40.7		 3hlwA-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 SER A 130
ASN A 105
LYS A 234
GLY A 236
SER A 237
GLY A 238
 None
 1.22A 3hlwA-2cc1A:
40.7		 3hlwA-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) 		7 SER A 130
ASN A 170
THR A 216
LYS A 234
GLY A 236
SER A 237
GLY A 238
 None
 0.61A 3hlwA-2cc1A:
40.7		 3hlwA-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
SER A 306
ASN A 308
LYS A 417
GLY A 419
 DGF  A 501 ( 4.0A)
DGF  A 501 (-3.3A)
DGF  A 501 (-3.0A)
None
DGF  A 501 (-3.4A)
 0.40A 3hlwA-2exaA:
17.5		 3hlwA-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 LYS B 463
TYR B 498
SER B 516
ASN B 518
THR B 629
LYS B 651
GLY B 653
 None
 0.65A 3hlwA-2fffB:
16.7		 3hlwA-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
SER A 439
ASN A 441
LYS A 528
GLY A 530
GLY A 532
 GOL  A 605 ( 3.9A)
GOL  A 604 (-2.6A)
GOL  A 605 (-2.8A)
GOL  A 604 (-2.9A)
GOL  A 605 ( 3.2A)
None
 0.46A 3hlwA-2iwbA:
19.3		 3hlwA-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
SER A 122
ASN A 124
LYS A 219
GLY A 221
 None
 0.33A 3hlwA-2j7vA:
33.6		 3hlwA-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 LYS A 463
TYR A 498
SER A 516
ASN A 518
THR A 629
LYS A 651
GLY A 653
 PL7  A1793 ( 4.0A)
PL7  A1793 (-4.3A)
PL7  A1793 (-3.0A)
PL7  A1793 (-3.2A)
PL7  A1793 ( 4.1A)
PL7  A1793 ( 4.1A)
PL7  A1793 (-3.3A)
 0.76A 3hlwA-2jchA:
15.8		 3hlwA-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 3hlwA-2rdlA:
undetectable		 3hlwA-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 LYS F 373
SER F 428
ASN F 430
THR F 543
LYS F 557
GLY F 559
 None
MES  F1653 (-3.1A)
None
MES  F1653 (-3.7A)
MES  F1653 ( 4.0A)
MES  F1653 (-3.6A)
 0.68A 3hlwA-2v2fF:
17.6		 3hlwA-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 LYS A 389
SER A 443
ASN A 445
THR A 600
LYS A 615
GLY A 617
 None
 0.46A 3hlwA-2waeA:
16.0		 3hlwA-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) 		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
 1.31A 3hlwA-2wyxA:
46.0		 3hlwA-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 LYS A  73
ASN A 104
TYR A 105
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 236
SER A 237
GLY A 238
 None
 0.41A 3hlwA-2wyxA:
46.0		 3hlwA-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) 		6 LYS A 176
SER A 234
ASN A 236
LYS A 375
GLY A 377
SER A 378
 None
J01  A 600 (-3.4A)
None
J01  A 600 ( 4.4A)
J01  A 600 ( 3.8A)
J01  A 600 (-3.4A)
 0.50A 3hlwA-2xfsA:
22.7		 3hlwA-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) 		6 LYS B 340
SER B 395
ASN B 397
THR B 526
LYS B 547
GLY B 549
 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)
 0.44A 3hlwA-2z2mB:
16.7		 3hlwA-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 LYS A  72
SER A 310
ASN A 312
THR A 401
LYS A 420
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)
 0.41A 3hlwA-3a3iA:
20.7		 3hlwA-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
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 236
 MER  A 301 ( 3.8A)
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 (-3.0A)
 0.44A 3hlwA-3bfgA:
46.5		 3hlwA-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 LYS A  76
SER A 133
ASN A 135
ASN A 173
THR A 219
LYS A 237
GLY A 239
GLY A 241
 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 (-3.3A)
None
 0.36A 3hlwA-3bydA:
47.0		 3hlwA-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
SER A 169
ASN A 171
LYS A 257
GLY A 259
SER A 260
 NO3  A   1 (-3.5A)
None
NO3  A   1 ( 4.7A)
None
None
EDO  A   7 ( 4.0A)
 0.64A 3hlwA-3cjmA:
27.5		 3hlwA-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
SER A 454
ASN A 456
LYS A 583
GLY A 585
GLY A 587
 SO4  A  26 ( 4.8A)
SO4  A  26 (-3.1A)
None
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.3A)
None
 0.59A 3hlwA-3dwkA:
17.8		 3hlwA-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 LYS A  87
SER A 142
ASN A 186
THR A 232
LYS A 250
GLY A 252
GLY A 254
 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 (-3.3A)
None
 0.51A 3hlwA-3dwzA:
41.2		 3hlwA-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 LYS A  88
TYR A 118
ASN A 145
ASN A 183
THR A 229
LYS A 247
GLY A 249
GLY A 251
 None
EPE  A 305 (-3.3A)
None
None
EPE  A 305 ( 3.9A)
EPE  A 305 (-3.1A)
EPE  A 305 (-3.4A)
None
 0.60A 3hlwA-3lezA:
41.6		 3hlwA-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) 		7 TYR A 118
SER A 143
ASN A 145
THR A 229
LYS A 247
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 (-3.4A)
None
 0.66A 3hlwA-3lezA:
41.6		 3hlwA-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
SER A 115
ASN A 117
LYS A 220
GLY A 222
 CIT  A   1 ( 4.4A)
CIT  A   1 (-2.8A)
None
CIT  A   1 ( 3.7A)
CIT  A   1 (-3.3A)
 0.30A 3hlwA-3mfdA:
22.4		 3hlwA-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 LYS A  64
SER A 122
ASN A 162
THR A 208
LYS A 226
GLY A 228
 None
SO4  A 288 (-2.7A)
None
SO4  A 288 ( 4.8A)
SO4  A 288 (-3.5A)
SO4  A 288 (-3.3A)
 0.60A 3hlwA-3p09A:
39.4		 3hlwA-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 LYS A  64
TYR A  98
SER A 122
THR A 208
LYS A 226
GLY A 228
 None
None
SO4  A 288 (-2.7A)
SO4  A 288 ( 4.8A)
SO4  A 288 (-3.5A)
SO4  A 288 (-3.3A)
 0.62A 3hlwA-3p09A:
39.4		 3hlwA-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
SER A 437
ASN A 439
LYS A 526
GLY A 528
GLY A 530
 BOU  A 584 ( 3.9A)
BOU  A 584 (-2.8A)
BOU  A 584 (-3.5A)
BOU  A 584 (-3.3A)
BOU  A 584 (-3.7A)
BOU  A 584 ( 3.9A)
 0.43A 3hlwA-3q7zA:
18.2		 3hlwA-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) 		8 LYS A  73
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 236
GLY A 238
 None
 0.51A 3hlwA-3qhyA:
41.9		 3hlwA-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) 		5 LYS A  62
ASN A 158
LYS A 299
GLY A 301
GLY A 303
 CIT  A 391 ( 4.4A)
CIT  A 391 ( 4.7A)
CIT  A 391 ( 4.4A)
CIT  A 391 (-3.3A)
None
 0.52A 3hlwA-3rjuA:
15.2		 3hlwA-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) 		6 LYS A 339
SER A 390
ASN A 392
THR A 511
LYS A 525
GLY A 527
 None
 0.73A 3hlwA-3ue3A:
17.0		 3hlwA-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
SER A 281
ASN A 283
LYS A 424
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 (-3.4A)
 0.55A 3hlwA-3upnA:
18.1		 3hlwA-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) 		6 LYS A  73
SER A 251
ASN A 253
THR A 342
LYS A 357
GLY A 359
 TAU  A 501 ( 3.7A)
TAU  A 501 (-2.6A)
TAU  A 501 (-3.1A)
None
TAU  A 501 ( 4.3A)
TAU  A 501 (-3.5A)
 0.37A 3hlwA-3v39A:
17.5		 3hlwA-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) 		5 SER A 448
ASN A 450
THR A 603
LYS A 618
GLY A 620
 None
 0.51A 3hlwA-3vskA:
16.8		 3hlwA-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 LYS A  73
TYR A 105
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
GLY A 238
 None
 0.44A 3hlwA-3w4qA:
44.0		 3hlwA-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 LYS A  73
TYR A 105
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
GLY A 238
 None
None
SO4  A1291 (-3.1A)
None
None
SO4  A1291 (-3.3A)
SO4  A1291 (-3.3A)
None
 0.53A 3hlwA-3zdjA:
38.8		 3hlwA-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 LYS B 397
SER B 449
ASN B 451
THR B 561
LYS B 575
GLY B 577
SER B 578
 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 ( 3.7A)
AIX  B 800 (-3.0A)
 0.64A 3hlwA-3zg8B:
17.2		 3hlwA-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 LYS A  73
TYR A 105
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 236
SER A 237
GLY A 238
 None
 0.37A 3hlwA-3znyA:
47.6		 3hlwA-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 LYS A  52
SER A 298
ASN A 300
THR A 393
LYS A 410
GLY A 412
 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 (-3.2A)
 0.41A 3hlwA-3zvtA:
20.9		 3hlwA-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) 		9 LYS A  73
TYR A 105
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 236
GLY A 238
 PEG  A 307 ( 3.6A)
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 (-2.7A)
None
 0.48A 3hlwA-4c6yA:
43.6		 3hlwA-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 LYS A  73
TYR A 105
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 236
GLY A 238
 SO4  A 291 ( 4.6A)
None
SO4  A 291 (-2.8A)
None
None
SO4  A 291 ( 4.1A)
SO4  A 291 (-3.4A)
NA  A 294 ( 3.2A)
None
 0.45A 3hlwA-4c75A:
42.7		 3hlwA-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 LYS A  73
SER A 130
ASN A 132
THR A 216
LYS A 234
GLY A 236
 None
 0.57A 3hlwA-4d2oA:
32.6		 3hlwA-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 LYS A  73
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 236
 MER  A 401 ( 4.4A)
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 (-3.6A)
 0.58A 3hlwA-4ev4A:
42.3		 3hlwA-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
SER A 110
ASN A 112
LYS A 213
GLY A 215
 None
SO4  A 301 (-3.1A)
None
SO4  A 301 (-3.0A)
SO4  A 301 (-3.5A)
 0.45A 3hlwA-4ewfA:
32.0		 3hlwA-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.
4fsf PENICILLIN-BINDING
PROTEIN 3

(Pseudomonas
aeruginosa) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 LYS A 297
SER A 349
ASN A 351
LYS A 484
GLY A 486
 0W0  A 601 ( 4.2A)
0W0  A 601 (-3.1A)
0W0  A 601 (-3.1A)
0W0  A 601 (-3.0A)
0W0  A 601 (-3.4A)
 0.49A 3hlwA-4fsfA:
17.4		 3hlwA-4fsfA:
19.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hes BETA-LACTAMASE CLASS
A-LIKE PROTEIN

(Veillonella
parvula) 		PF13354
(Beta-lactamase2) 		5 LYS A  59
SER A 117
ASN A 119
LYS A 217
GLY A 219
 GOL  A 301 ( 4.2A)
GOL  A 301 (-2.7A)
None
GOL  A 301 ( 4.6A)
GOL  A 301 (-3.5A)
 0.35A 3hlwA-4hesA:
29.4		 3hlwA-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 LYS A 185
SER A 237
ASN A 239
THR A 383
LYS A 397
GLY A 399
 None
 0.43A 3hlwA-4mnrA:
17.5		 3hlwA-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
SER A 361
ASN A 363
THR A 486
LYS A 500
GLY A 502
 None
CA  A 601 ( 3.8A)
None
CA  A 601 ( 4.7A)
CA  A 601 ( 4.1A)
CA  A 601 ( 4.2A)
 0.45A 3hlwA-4ovdA:
17.4		 3hlwA-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.
4ovd PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Atopobium
parvulum) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		6 SER A 361
ASN A 363
THR A 486
LYS A 500
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 ( 4.2A)
None
 0.79A 3hlwA-4ovdA:
17.4		 3hlwA-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
SER A 176
ASN A 178
LYS A 282
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 (-3.1A)
 0.42A 3hlwA-4pprA:
20.2		 3hlwA-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
SER A 737
ASN A 739
THR A 876
LYS A 890
GLY A 892
 NXU  A1001 ( 4.2A)
NXU  A1001 (-3.2A)
NXU  A1001 (-3.5A)
NXU  A1001 (-4.0A)
NXU  A1001 (-3.5A)
NXU  A1001 (-3.4A)
 0.49A 3hlwA-4ra7A:
16.8		 3hlwA-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
SER A 124
ASN A 126
LYS A 230
GLY A 232
 None
 0.29A 3hlwA-4ryeA:
21.8		 3hlwA-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 LYS A  74
SER A 131
ASN A 133
ASN A 171
THR A 215
LYS A 233
GLY A 235
GLY A 237
 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 (-3.3A)
None
 0.46A 3hlwA-4yfmA:
41.9		 3hlwA-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 LYS A 403
SER A 454
ASN A 456
THR A 554
LYS A 568
GLY A 570
 None
NHE  A 901 (-2.9A)
None
NHE  A 901 ( 4.2A)
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
 0.57A 3hlwA-4ztkA:
16.7		 3hlwA-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) 		7 LYS A 203
SER A 260
ASN A 262
ASN A 300
LYS A 364
GLY A 366
GLY A 368
 None
 0.50A 3hlwA-5aqaA:
37.4		 3hlwA-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 LYS A  61
SER A 239
ASN A 241
THR A 330
LYS A 345
GLY A 347
 None
 0.32A 3hlwA-5cerA:
18.1		 3hlwA-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
SER A 398
ASN A 400
LYS A 539
GLY A 541
 35P  A 702 ( 4.2A)
35P  A 702 (-2.9A)
35P  A 702 (-3.1A)
35P  A 702 (-3.3A)
35P  A 702 (-3.5A)
 0.53A 3hlwA-5cxwA:
18.0		 3hlwA-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 LYS A  50
TYR A  82
SER A 107
ASN A 109
ASN A 147
THR A 193
LYS A 211
GLY A 213
SER A 214
GLY A 215
 None
 0.62A 3hlwA-5e2eA:
44.3		 3hlwA-5e2eA:
58.21
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 LYS A  73
SER A 131
ASN A 133
ASN A 171
THR A 217
LYS A 235
GLY A 237
 None
ACT  A 311 (-3.0A)
None
None
ACT  A 311 ( 3.9A)
ACT  A 311 (-3.3A)
ACT  A 311 (-3.2A)
 0.38A 3hlwA-5e43A:
42.9		 3hlwA-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) 		9 LYS A  65
TYR A  97
SER A 123
ASN A 125
ASN A 163
THR A 209
LYS A 227
GLY A 229
SER A 230
 CIT  A 303 (-3.6A)
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 (-3.5A)
CIT  A 303 (-2.5A)
 0.54A 3hlwA-5eoeA:
40.5		 3hlwA-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 LYS A  67
SER A 125
ASN A 127
THR A 211
LYS A 229
GLY A 231
 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 (-3.3A)
 0.29A 3hlwA-5f83A:
39.3		 3hlwA-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) 		6 GLY A 236
TYR A 105
SER A 130
THR A 216
LYS A 234
GLY A 238
 None
 1.49A 3hlwA-5gl9A:
45.1		 3hlwA-5gl9A:
57.09
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
TYR A 105
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 236
GLY A 238
 None
 0.47A 3hlwA-5gl9A:
45.1		 3hlwA-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 LYS A 513
SER A 572
ASN A 574
THR A 682
LYS A 698
GLY A 700
 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 (-3.3A)
 0.58A 3hlwA-5hlbA:
18.3		 3hlwA-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
 0.29A 3hlwA-5hx9A:
41.9		 3hlwA-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
 0.30A 3hlwA-5ihvA:
42.2		 3hlwA-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 7 LYS A  73
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 236
 6YV  A 301 ( 3.8A)
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 ( 4.0A)
 0.72A 3hlwA-5ll7A:
43.0		 3hlwA-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 LYS A  51
TYR A  85
SER A 112
ASN A 114
THR A 197
LYS A 215
GLY A 217
SER A 218
 None
None
PO4  A 301 (-2.6A)
None
PO4  A 301 ( 3.8A)
PO4  A 301 (-3.2A)
PO4  A 301 (-3.3A)
PO4  A 301 (-2.7A)
 0.46A 3hlwA-5tfqA:
33.3		 3hlwA-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 LYS A 317
SER A 368
ASN A 370
LYS A 513
GLY A 515
 None
 0.40A 3hlwA-5troA:
17.1		 3hlwA-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 LYS A 455
SER A 510
ASN A 512
THR A 712
LYS A 728
GLY A 730
 None
 0.62A 3hlwA-5u2gA:
17.5		 3hlwA-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) 		6 LYS A 346
SER A 402
ASN A 404
THR A 532
LYS A 553
GLY A 555
 None
 0.42A 3hlwA-5u47A:
17.1		 3hlwA-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)
 1.22A 3hlwA-5vpqA:
41.6		 3hlwA-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 LYS A  61
SER A 119
THR A 206
GLY A 227
SER A 228
GLY A 229
 None
None
None
None
EDO  A 304 ( 4.8A)
EDO  A 304 (-3.4A)
 1.43A 3hlwA-5vpqA:
41.6		 3hlwA-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) 		7 SER A 119
ASN A 121
ASN A 159
THR A 206
GLY A 227
SER A 228
GLY A 229
 None
None
None
None
None
EDO  A 304 ( 4.8A)
EDO  A 304 (-3.4A)
 0.75A 3hlwA-5vpqA:
41.6		 3hlwA-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
SER A 120
ASN A 122
THR A 206
LYS A 224
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 (-3.2A)
 0.32A 3hlwA-5x5gA:
34.8		 3hlwA-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 SER A 120
ASN A 122
THR A 206
LYS A 224
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 (-3.2A)
OP0  A 305 (-2.4A)
 0.60A 3hlwA-5x5gA:
34.8		 3hlwA-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 LYS A  61
SER A 118
ASN A 120
THR A 208
LYS A 222
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 (-3.2A)
 0.39A 3hlwA-5zqeA:
22.2		 3hlwA-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 LYS A  71
SER A 125
ASN A 127
THR A 217
LYS A 232
GLY A 234
 SEE  A  68 ( 2.8A)
SEE  A  68 ( 1.4A)
SEE  A  68 ( 3.6A)
None
SEE  A  68 ( 3.5A)
SEE  A  68 ( 3.9A)
 0.47A 3hlwA-6aziA:
21.5		 3hlwA-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 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)
 1.40A 3hlwA-6bu3A:
49.2		 3hlwA-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 11 LYS A  73
ASN A 104
TYR A 105
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 236
SER A 237
GLY A 238
 3GK  A 301 ( 4.0A)
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 (-3.4A)
3GK  A 301 ( 2.7A)
3GK  A 301 (-3.6A)
 0.33A 3hlwA-6bu3A:
49.2		 3hlwA-6bu3A:
97.50
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.
6fm7 BETA-LACTAMASE

(Aeromonas
enteropelogenes) 		no annotation 5 LYS A  65
ASN A 150
LYS A 312
GLY A 314
SER A 315
 NXL  A 401 ( 3.9A)
NXL  A 401 (-3.5A)
NXL  A 401 (-3.6A)
NXL  A 401 (-3.3A)
NXL  A 401 (-3.4A)
 0.52A 3hlwA-6fm7A:
15.4		 3hlwA-6fm7A:
15.59
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.
1vaj HYPOTHETICAL PROTEIN
PH0010

(Pyrococcus
horikoshii) 		PF01871
(AMMECR1) 		4 CYH A 175
PRO A 121
THR A 165
ASP A 180
 None
 1.39A 3hlwA-1vajA:
0.0		 3hlwA-1vajA:
21.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wyx BETA-LACTAMSE TOHO-1

(Escherichia
coli) 		PF13354
(Beta-lactamase2) 		4 CYH A  69
PRO A 167
THR A 235
ASP A 240
 None
 0.56A 3hlwA-2wyxA:
46.0		 3hlwA-2wyxA:
83.59
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) 		4 CYH A  72
PRO A 170
THR A 238
ASP A 242
 None
None
SO4  A 301 (-3.9A)
None
 0.45A 3hlwA-3bydA:
47.0		 3hlwA-3bydA:
74.16
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) 		4 CYH A  83
PRO A 183
THR A 251
ASP A 255
 DWZ  A 400 (-4.9A)
None
DWZ  A 400 (-3.5A)
None
 0.88A 3hlwA-3dwzA:
41.2		 3hlwA-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.
4zoh PUTATIVE
OXIDOREDUCTASE
FAD-BINDING SUBUNIT
PUTATIVE
OXIDOREDUCTASE
IRON-SULFUR SUBUNIT

(Sulfurisphaera
tokodaii) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01799
(Fer2_2)
PF03450
(CO_deh_flav_C) 		4 CYH C  67
PRO B  38
THR C  56
ASP C  48
 FES  C 201 (-2.3A)
None
None
None
 1.42A 3hlwA-4zohC:
0.0		 3hlwA-4zohC:
22.92
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) 		4 CYH A  46
PRO A 144
THR A 212
ASP A 216
 None
 0.30A 3hlwA-5e2eA:
44.3		 3hlwA-5e2eA:
58.21
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) 		4 CYH A  57
PRO A 156
THR A 226
ASP A 230
 None
None
None
EDO  A 304 (-3.7A)
 0.51A 3hlwA-5vpqA:
41.6		 3hlwA-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.
6ch9 BG18 HEAVY CHAIN

(Homo sapiens) 		no annotation 4 CYH Q 157
PRO Q 136
THR Q 182
ASP Q 225
 None
 1.45A 3hlwA-6ch9Q:
0.0		 3hlwA-6ch9Q:
15.59
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.
6ct0 DIHYDROLIPOYLLYSINE-
RESIDUE
ACETYLTRANSFERASE
COMPONENT OF
PYRUVATE
DEHYDROGENASE
COMPLEX,
MITOCHONDRIAL

(Homo sapiens) 		no annotation 4 CYH 0 618
PRO 0 444
THR 0 615
ASP 0 624
 None
 1.43A 3hlwA-6ct00:
undetectable		 3hlwA-6ct00:
17.32