SIMILAR PATTERNS OF AMINO ACIDS FOR 4PM9_A_CE3A301_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
 0.81A 4pm9A-1alqA:
28.0		 4pm9A-1alqA:
31.37
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 ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
ALA A 237
GLY A 238
 None
 0.30A 4pm9A-1bsgA:
42.9		 4pm9A-1bsgA:
46.30
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
LYS A 234
THR A 235
GLY A 236
ALA A 237
GLY A 238
 None
 0.56A 4pm9A-1bsgA:
42.9		 4pm9A-1bsgA:
46.30
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 ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
 None
 0.68A 4pm9A-1bueA:
40.4		 4pm9A-1bueA:
48.48
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
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 None
 0.89A 4pm9A-1bueA:
40.4		 4pm9A-1bueA:
48.48
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 ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
 None
 0.61A 4pm9A-1dy6A:
40.9		 4pm9A-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
LYS A 234
THR A 235
GLY A 236
 None
 0.87A 4pm9A-1dy6A:
40.9		 4pm9A-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)
 0.60A 4pm9A-1e25A:
32.7		 4pm9A-1e25A:
28.77
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) 		7 TYR A 105
SER A 130
ASN A 132
ASN A 170
GLY A 236
ALA A 237
GLY A 238
 None
SO4  A 400 (-2.7A)
None
None
SO4  A 400 (-3.0A)
SO4  A 400 (-3.6A)
None
 0.49A 4pm9A-1g68A:
39.5		 4pm9A-1g68A:
39.85
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 TYR A 105
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)
None
None
MES  A1000 (-3.7A)
MES  A1000 (-2.9A)
MES  A1000 (-3.7A)
MES  A1000 (-3.1A)
None
 0.43A 4pm9A-1hzoA:
46.7		 4pm9A-1hzoA:
66.54
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) 		7 TYR A 105
SER A 130
ASN A 170
LYS A 234
THR A 235
GLY A 236
GLY A 238
 MES  A1000 (-3.9A)
MES  A1000 (-2.7A)
None
MES  A1000 (-2.9A)
MES  A1000 (-3.7A)
MES  A1000 (-3.1A)
None
 0.71A 4pm9A-1hzoA:
46.7		 4pm9A-1hzoA:
66.54
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
ASN A 132
THR A 216
LYS A 234
THR A 235
GLY A 236
ALA A 237
GLY A 238
 CFX  A1300 (-3.9A)
CFX  A1300 ( 4.9A)
CFX  A1300 (-3.0A)
CFX  A1300 (-3.2A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.6A)
CFX  A1300 (-3.3A)
CFX  A1300 (-3.4A)
CFX  A1300 ( 4.1A)
 0.48A 4pm9A-1i2wA:
41.0		 4pm9A-1i2wA:
42.86
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
LYS A 234
THR A 235
GLY A 236
ALA A 237
GLY A 238
 CFX  A1300 (-3.9A)
CFX  A1300 ( 4.9A)
CFX  A1300 (-3.1A)
CFX  A1300 (-3.0A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.6A)
CFX  A1300 (-3.3A)
CFX  A1300 (-3.4A)
CFX  A1300 ( 4.1A)
 0.65A 4pm9A-1i2wA:
41.0		 4pm9A-1i2wA:
42.86
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.
1j9m DD-TRANSPEPTIDASE

(Streptomyces
sp. K15) 		PF00768
(Peptidase_S11) 		5 THR A 199
LYS A 213
THR A 214
GLY A 215
GLY A 217
 NA  A 600 ( 4.5A)
NA  A 600 (-3.4A)
NA  A 600 (-3.9A)
NA  A 600 ( 3.6A)
None
 0.32A 4pm9A-1j9mA:
22.0		 4pm9A-1j9mA:
27.18
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) 		7 SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
 SO4  A1002 (-3.1A)
None
None
SO4  A1002 ( 4.8A)
SO4  A1002 (-3.6A)
SO4  A1002 (-3.6A)
SO4  A1002 (-3.2A)
 0.62A 4pm9A-1n4oA:
40.5		 4pm9A-1n4oA:
48.87
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) 		8 TYR A 105
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
ALA A 237
 EPE  A 400 (-3.6A)
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
EPE  A 400 (-4.0A)
 0.47A 4pm9A-1n9bA:
35.6		 4pm9A-1n9bA:
40.30
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.
1w5d PENICILLIN-BINDING
PROTEIN

(Bacillus
subtilis) 		PF02113
(Peptidase_S13) 		5 ASN A 301
THR A 394
LYS A 411
THR A 412
GLY A 413
 None
 0.35A 4pm9A-1w5dA:
21.1		 4pm9A-1w5dA:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Streptococcus
pneumoniae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		5 ASN A 121
THR A 221
LYS A 239
THR A 240
GLY A 241
 None
SO4  A 464 ( 4.0A)
SO4  A 464 (-3.5A)
SO4  A 464 (-4.0A)
SO4  A 464 ( 3.8A)
 0.42A 4pm9A-1xp4A:
20.6		 4pm9A-1xp4A:
25.27
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 TYR A 105
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
ALA A 237
GLY A 238
 None
 0.63A 4pm9A-1zg4A:
38.4		 4pm9A-1zg4A:
38.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.71A 4pm9A-2c6wB:
17.1		 4pm9A-2c6wB:
22.81
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
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
 None
 1.37A 4pm9A-2cc1A:
40.6		 4pm9A-2cc1A:
43.87
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
 0.57A 4pm9A-2cc1A:
40.6		 4pm9A-2cc1A:
43.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2exa PENICILLIN-BINDING
PROTEIN 4

(Escherichia
coli) 		PF02113
(Peptidase_S13) 		6 SER A 306
ASN A 308
LYS A 417
THR A 418
GLY A 419
ALA A  61
 DGF  A 501 (-3.3A)
DGF  A 501 (-3.0A)
None
None
DGF  A 501 (-3.4A)
DGF  A 501 (-3.6A)
 1.48A 4pm9A-2exaA:
17.4		 4pm9A-2exaA:
22.53
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.
2fff PENICILLIN-BINDING
PROTEIN 1B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		6 TYR B 498
ASN B 518
THR B 629
LYS B 651
THR B 652
GLY B 653
 None
 0.58A 4pm9A-2fffB:
17.0		 4pm9A-2fffB:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fff PENICILLIN-BINDING
PROTEIN 1B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		6 TYR B 498
SER B 516
ASN B 518
LYS B 651
THR B 652
GLY B 653
 None
 0.71A 4pm9A-2fffB:
17.0		 4pm9A-2fffB:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.64A 4pm9A-2iwbA:
19.3		 4pm9A-2iwbA:
22.43
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.
2j7v TLL2115 PROTEIN

(Synechococcus
elongatus) 		PF13354
(Beta-lactamase2) 		6 SER A 122
ASN A 124
LYS A 219
THR A 220
GLY A 221
ALA A  60
 None
 1.46A 4pm9A-2j7vA:
33.3		 4pm9A-2j7vA:
27.39
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.
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)
 0.81A 4pm9A-2jchA:
15.8		 4pm9A-2jchA:
17.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.67A 4pm9A-2v2fF:
17.7		 4pm9A-2v2fF:
24.44
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.65A 4pm9A-2waeA:
16.1		 4pm9A-2waeA:
17.81
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) 		9 ASN A 104
TYR A 105
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
 None
 0.47A 4pm9A-2wyxA:
46.0		 4pm9A-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 ASN A 104
TYR A 105
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
GLY A 238
 None
 0.68A 4pm9A-2wyxA:
46.0		 4pm9A-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) 		7 GLY A 236
ASN A 104
TYR A 105
ASN A 170
THR A 216
LYS A 234
GLY A 238
 None
 1.43A 4pm9A-2wyxA:
46.0		 4pm9A-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.
2x3h K5 LYASE

(Escherichia
virus K1-5) 		no annotation 6 ASN A 291
SER A 212
ASN A 264
ASN A 230
THR A 210
ALA A 237
 None
 1.30A 4pm9A-2x3hA:
undetectable		 4pm9A-2x3hA:
19.33
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.
2x3h K5 LYASE

(Escherichia
virus K1-5) 		no annotation 6 SER A 212
ASN A 264
ASN A 230
THR A 210
GLY A 209
ALA A 237
 None
 1.37A 4pm9A-2x3hA:
undetectable		 4pm9A-2x3hA:
19.33
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.
2zj9 AMPC

(Escherichia
coli) 		PF00144
(Beta-lactamase) 		5 ASN A 152
LYS A 315
THR A 316
GLY A 317
ALA A 318
 None
 0.44A 4pm9A-2zj9A:
14.9		 4pm9A-2zj9A:
24.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a3i PENICILLIN-BINDING
PROTEIN 4

(Haemophilus
influenzae) 		PF02113
(Peptidase_S13) 		5 ASN A 312
THR A 401
LYS A 420
THR A 421
GLY A 422
 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 4pm9A-3a3iA:
20.7		 4pm9A-3a3iA:
21.52
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
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
ALA A 237
 MER  A 301 ( 4.1A)
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)
MER  A 301 (-4.2A)
 0.49A 4pm9A-3bfgA:
47.0		 4pm9A-3bfgA:
75.95
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) 		7 ASN A 104
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
ALA A 237
 MER  A 301 ( 4.1A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.0A)
MER  A 301 (-4.2A)
 0.69A 4pm9A-3bfgA:
47.0		 4pm9A-3bfgA:
75.95
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 ASN A 135
ASN A 173
THR A 219
LYS A 237
THR A 238
GLY A 239
ALA A 240
GLY A 241
 None
None
SO4  A 301 ( 4.0A)
SO4  A 301 (-3.1A)
SO4  A 301 (-3.9A)
SO4  A 301 (-3.3A)
SO4  A 301 (-3.6A)
None
 0.30A 4pm9A-3bydA:
47.2		 4pm9A-3bydA:
74.91
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
LYS A 237
THR A 238
GLY A 239
ALA A 240
GLY A 241
 SO4  A 301 (-2.8A)
None
None
SO4  A 301 (-3.1A)
SO4  A 301 (-3.9A)
SO4  A 301 (-3.3A)
SO4  A 301 (-3.6A)
None
 0.58A 4pm9A-3bydA:
47.2		 4pm9A-3bydA:
74.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.77A 4pm9A-3dwkA:
18.3		 4pm9A-3dwkA:
18.08
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) 		6 ASN A 186
THR A 232
LYS A 250
THR A 251
GLY A 252
GLY A 254
 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
 0.31A 4pm9A-3dwzA:
41.4		 4pm9A-3dwzA:
45.52
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) 		6 SER A 142
ASN A 186
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 ( 3.8A)
DWZ  A 400 (-3.5A)
DWZ  A 400 (-3.3A)
None
 0.61A 4pm9A-3dwzA:
41.4		 4pm9A-3dwzA:
45.52
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) 		10 TYR A 118
SER A 143
ASN A 145
ASN A 183
THR A 229
LYS A 247
THR A 248
GLY A 249
ALA A 250
GLY A 251
 EPE  A 305 (-3.3A)
EPE  A 305 (-2.5A)
None
None
EPE  A 305 ( 3.9A)
EPE  A 305 (-3.1A)
EPE  A 305 (-3.6A)
EPE  A 305 (-3.4A)
EPE  A 305 ( 4.1A)
None
 0.37A 4pm9A-3lezA:
41.4		 4pm9A-3lezA:
44.15
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) 		7 TYR A  98
SER A 122
ASN A 162
THR A 208
LYS A 226
THR A 227
GLY A 228
 None
SO4  A 288 (-2.7A)
None
SO4  A 288 ( 4.8A)
SO4  A 288 (-3.5A)
SO4  A 288 (-3.6A)
SO4  A 288 (-3.3A)
 0.89A 4pm9A-3p09A:
39.3		 4pm9A-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)
 0.66A 4pm9A-3q7zA:
18.2		 4pm9A-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 ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 236
ALA A 237
GLY A 238
 None
 0.45A 4pm9A-3qhyA:
41.5		 4pm9A-3qhyA:
44.24
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
LYS A 234
GLY A 236
ALA A 237
GLY A 238
 None
 0.61A 4pm9A-3qhyA:
41.5		 4pm9A-3qhyA:
44.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qnb OXACILLINASE

(Escherichia
coli) 		PF00905
(Transpeptidase) 		5 SER A 115
LYS A 205
THR A 206
GLY A 207
GLY A 209
 KCX  A  70 ( 4.6A)
KCX  A  70 ( 4.7A)
SO4  A   4 (-2.9A)
None
None
 0.44A 4pm9A-3qnbA:
19.2		 4pm9A-3qnbA:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v39 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Bdellovibrio
bacteriovorus) 		PF02113
(Peptidase_S13) 		5 ASN A 253
THR A 342
LYS A 357
THR A 358
GLY A 359
 TAU  A 501 (-3.1A)
None
TAU  A 501 ( 4.3A)
None
TAU  A 501 (-3.5A)
 0.34A 4pm9A-3v39A:
17.6		 4pm9A-3v39A:
22.03
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.
3v39 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Bdellovibrio
bacteriovorus) 		PF02113
(Peptidase_S13) 		6 SER A 251
ASN A 253
LYS A 357
THR A 358
GLY A 359
ALA A  69
 TAU  A 501 (-2.6A)
TAU  A 501 (-3.1A)
TAU  A 501 ( 4.3A)
None
TAU  A 501 (-3.5A)
TAU  A 501 (-3.4A)
 1.47A 4pm9A-3v39A:
17.6		 4pm9A-3v39A:
22.03
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.
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
 0.74A 4pm9A-3vskA:
17.1		 4pm9A-3vskA:
17.87
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
 0.60A 4pm9A-3w4qA:
44.1		 4pm9A-3w4qA:
58.02
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) 		9 TYR A 105
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
ALA A 237
GLY A 238
 None
SO4  A1291 (-3.1A)
None
None
SO4  A1291 (-3.3A)
SO4  A1291 (-3.6A)
SO4  A1291 (-3.3A)
SO4  A1291 (-3.9A)
None
 0.64A 4pm9A-3zdjA:
38.7		 4pm9A-3zdjA:
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.
3zg8 PENICILLIN-BINDING
PROTEIN 4

(Listeria
monocytogenes) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		6 SER B 449
ASN B 451
THR B 561
LYS B 575
THR B 576
GLY B 577
 AIX  B 800 (-2.4A)
AIX  B 800 (-2.7A)
AIX  B 800 ( 3.8A)
AIX  B 800 ( 4.0A)
AIX  B 800 (-3.4A)
AIX  B 800 ( 3.7A)
 0.68A 4pm9A-3zg8B:
17.4		 4pm9A-3zg8B:
20.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zny CTX-M-12A ENZYME

(Klebsiella
pneumoniae) 		PF13354
(Beta-lactamase2) 		8 TYR A 105
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
 None
 0.36A 4pm9A-3znyA:
47.5		 4pm9A-3znyA:
80.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zny CTX-M-12A ENZYME

(Klebsiella
pneumoniae) 		PF13354
(Beta-lactamase2) 		8 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
 0.58A 4pm9A-3znyA:
47.5		 4pm9A-3znyA:
80.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp. R39) 		PF02113
(Peptidase_S13) 		5 ASN A 300
THR A 393
LYS A 410
THR A 411
GLY A 412
 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)
 0.29A 4pm9A-3zvtA:
20.9		 4pm9A-3zvtA:
22.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c6y BETA-LACTAMASE

(synthetic
construct) 		PF13354
(Beta-lactamase2) 		8 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 (-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
 0.56A 4pm9A-4c6yA:
43.5		 4pm9A-4c6yA:
58.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c6y BETA-LACTAMASE

(synthetic
construct) 		PF13354
(Beta-lactamase2) 		8 TYR A 105
SER A 130
ASN A 132
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 ( 3.4A)
PEG  A 307 (-3.0A)
PEG  A 307 (-2.7A)
None
 0.72A 4pm9A-4c6yA:
43.5		 4pm9A-4c6yA:
58.78
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
 0.62A 4pm9A-4c75A:
42.7		 4pm9A-4c75A:
57.25
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
 0.46A 4pm9A-4d2oA:
32.4		 4pm9A-4d2oA:
30.99
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 ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
 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)
 0.47A 4pm9A-4ev4A:
41.9		 4pm9A-4ev4A:
48.06
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
ASN A 170
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 (-3.0A)
MER  A 401 (-3.5A)
MER  A 401 (-3.6A)
 0.75A 4pm9A-4ev4A:
41.9		 4pm9A-4ev4A:
48.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mll BETA-LACTAMASE OXA-1

(Escherichia
coli) 		PF00905
(Transpeptidase) 		5 SER A 115
THR A 213
GLY A 214
ALA A 215
GLY A 216
 1S6  A 301 (-2.9A)
1S6  A 301 (-3.6A)
1S6  A 301 (-3.3A)
1S6  A 301 (-3.7A)
1S6  A 301 ( 3.7A)
 0.44A 4pm9A-4mllA:
20.5		 4pm9A-4mllA:
20.94
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.
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
 0.61A 4pm9A-4mnrA:
17.6		 4pm9A-4mnrA:
23.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.80A 4pm9A-4oonA:
17.0		 4pm9A-4oonA:
16.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ovd PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Atopobium
parvulum) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		6 ASN A 363
THR A 486
LYS A 500
THR A 501
GLY A 502
GLY A 504
 None
CA  A 601 ( 4.7A)
CA  A 601 ( 4.1A)
CA  A 601 (-4.0A)
CA  A 601 ( 4.2A)
None
 0.77A 4pm9A-4ovdA:
17.6		 4pm9A-4ovdA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ovd PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Atopobium
parvulum) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		6 SER A 361
ASN A 363
LYS A 500
THR A 501
GLY A 502
GLY A 504
 CA  A 601 ( 3.8A)
None
CA  A 601 ( 4.1A)
CA  A 601 (-4.0A)
CA  A 601 ( 4.2A)
None
 0.90A 4pm9A-4ovdA:
17.6		 4pm9A-4ovdA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.61A 4pm9A-4ra7A:
16.8		 4pm9A-4ra7A:
22.37
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
 0.60A 4pm9A-4yfmA:
41.9		 4pm9A-4yfmA:
42.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.66A 4pm9A-4ztkA:
16.9		 4pm9A-4ztkA:
25.50
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.
5aqa OFF7_DB04V3

(synthetic
construct) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13354
(Beta-lactamase2) 		6 ASN A 262
ASN A 300
LYS A 364
GLY A 366
ALA A 367
GLY A 368
 None
 0.39A 4pm9A-5aqaA:
37.7		 4pm9A-5aqaA:
27.03
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.
5aqa OFF7_DB04V3

(synthetic
construct) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13354
(Beta-lactamase2) 		6 SER A 260
ASN A 300
LYS A 364
GLY A 366
ALA A 367
GLY A 368
 None
 0.63A 4pm9A-5aqaA:
37.7		 4pm9A-5aqaA:
27.03
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.
5cer BD0816

(Bdellovibrio
bacteriovorus) 		PF02113
(Peptidase_S13) 		5 ASN A 241
THR A 330
LYS A 345
THR A 346
GLY A 347
 None
 0.32A 4pm9A-5cerA:
18.3		 4pm9A-5cerA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cer BD0816

(Bdellovibrio
bacteriovorus) 		PF02113
(Peptidase_S13) 		6 SER A 239
ASN A 241
LYS A 345
THR A 346
GLY A 347
ALA A  57
 None
 1.48A 4pm9A-5cerA:
18.3		 4pm9A-5cerA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ctm BETA-LACTAMASE

(Bacillus
pumilus) 		PF00905
(Transpeptidase) 		5 SER A 149
LYS A 239
THR A 240
GLY A 241
GLY A 243
 FLC  A 301 (-2.5A)
FLC  A 301 (-3.0A)
FLC  A 301 (-3.8A)
FLC  A 301 (-3.2A)
None
 0.37A 4pm9A-5ctmA:
18.9		 4pm9A-5ctmA:
22.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e2e BETA-LACTAMASE

(Yersinia
enterocolitica) 		PF13354
(Beta-lactamase2) 		8 TYR A  82
ASN A 109
ASN A 147
THR A 193
LYS A 211
THR A 212
GLY A 213
GLY A 215
 None
 0.53A 4pm9A-5e2eA:
44.3		 4pm9A-5e2eA:
57.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e2e BETA-LACTAMASE

(Yersinia
enterocolitica) 		PF13354
(Beta-lactamase2) 		8 TYR A  82
SER A 107
ASN A 109
ASN A 147
LYS A 211
THR A 212
GLY A 213
GLY A 215
 None
 0.71A 4pm9A-5e2eA:
44.3		 4pm9A-5e2eA:
57.84
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.
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
 0.67A 4pm9A-5e31A:
17.0		 4pm9A-5e31A:
19.27
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)
 0.59A 4pm9A-5e43A:
42.5		 4pm9A-5e43A:
43.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eoe BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		7 TYR A  97
ASN A 125
ASN A 163
THR A 209
LYS A 227
THR A 228
GLY A 229
 CIT  A 303 (-4.1A)
CIT  A 303 (-3.2A)
None
CIT  A 303 (-3.2A)
CIT  A 303 (-3.5A)
CIT  A 303 (-3.6A)
CIT  A 303 (-3.5A)
 0.43A 4pm9A-5eoeA:
40.7		 4pm9A-5eoeA:
41.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eoe BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		7 TYR A  97
SER A 123
ASN A 125
ASN A 163
LYS A 227
THR A 228
GLY A 229
 CIT  A 303 (-4.1A)
CIT  A 303 (-2.5A)
CIT  A 303 (-3.2A)
None
CIT  A 303 (-3.5A)
CIT  A 303 (-3.6A)
CIT  A 303 (-3.5A)
 0.65A 4pm9A-5eoeA:
40.7		 4pm9A-5eoeA:
41.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5f83 BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		5 ASN A 127
THR A 211
LYS A 229
THR A 230
GLY A 231
 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)
 0.22A 4pm9A-5f83A:
39.5		 4pm9A-5f83A:
38.01
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
 0.72A 4pm9A-5gl9A:
44.9		 4pm9A-5gl9A:
57.84
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.
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)
 0.74A 4pm9A-5hlbA:
18.3		 4pm9A-5hlbA:
18.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hql RIBULOSE
BISPHOSPHATE
CARBOXYLASE

(Rhodopseudomonas
palustris) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		6 GLY A 188
TYR A 182
THR A 223
GLY A 187
ALA A 405
GLY A 404
 None
 1.21A 4pm9A-5hqlA:
undetectable		 4pm9A-5hqlA:
21.09
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
 0.23A 4pm9A-5hx9A:
41.6		 4pm9A-5hx9A:
46.95
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
 0.23A 4pm9A-5ihvA:
41.8		 4pm9A-5ihvA:
50.19
Potential target for repurposing, i.e. matched protein structure has less than 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)
 0.63A 4pm9A-5ll7A:
42.6		 4pm9A-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.
5o6b ATP-DEPENDENT DNA
HELICASE PIF1

(Saccharomyces
cerevisiae) 		no annotation 6 GLY A 534
ASN A 526
THR A 290
GLY A 291
ALA A 294
GLY A 299
 None
 1.47A 4pm9A-5o6bA:
undetectable		 4pm9A-5o6bA:
20.22
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.
5tfq BETA-LACTAMASE

(Bacteroides
cellulosilyticus) 		PF13354
(Beta-lactamase2) 		7 TYR A  85
SER A 112
ASN A 114
THR A 197
LYS A 215
THR A 216
GLY A 217
 None
PO4  A 301 (-2.6A)
None
PO4  A 301 ( 3.8A)
PO4  A 301 (-3.2A)
PO4  A 301 ( 3.6A)
PO4  A 301 (-3.3A)
 0.60A 4pm9A-5tfqA:
33.0		 4pm9A-5tfqA:
27.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.77A 4pm9A-5u2gA:
17.7		 4pm9A-5u2gA:
15.56
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 ASN A 121
ASN A 159
THR A 206
THR A 226
GLY A 227
GLY A 229
 None
None
None
None
None
EDO  A 304 (-3.4A)
 0.66A 4pm9A-5vpqA:
41.5		 4pm9A-5vpqA:
46.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo sapiens) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		6 GLY A 307
TYR A 455
ASN A 311
THR A 346
GLY A 306
ALA A 305
 None
 1.24A 4pm9A-5x49A:
undetectable		 4pm9A-5x49A:
21.21
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.
5x5g BETA-LACTAMASE

(Serratia
marcescens) 		PF13354
(Beta-lactamase2) 		6 SER A 120
ASN A 122
THR A 206
LYS A 224
THR A 225
GLY A 226
 OP0  A 305 (-2.7A)
OP0  A 305 (-3.1A)
OP0  A 305 (-3.6A)
OP0  A 305 (-3.4A)
OP0  A 305 (-3.7A)
OP0  A 305 (-3.2A)
 0.55A 4pm9A-5x5gA:
34.6		 4pm9A-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 5 ASN A 120
THR A 208
LYS A 222
THR A 223
GLY A 224
 CES  A 301 (-3.3A)
CES  A 301 (-4.3A)
None
CES  A 301 (-3.6A)
CES  A 301 (-3.2A)
 0.29A 4pm9A-5zqeA:
22.2		 4pm9A-5zqeA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6azi D-ALANYL-D-ALANINE
ENDOPEPTIDASE

(Enterobacter
cloacae) 		PF00768
(Peptidase_S11) 		5 ASN A 127
THR A 217
LYS A 232
THR A 233
GLY A 234
 SEE  A  68 ( 3.6A)
None
SEE  A  68 ( 3.5A)
None
SEE  A  68 ( 3.9A)
 0.32A 4pm9A-6aziA:
21.4		 4pm9A-6aziA:
28.25
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 10 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
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 (-3.6A)
 0.45A 4pm9A-6bu3A:
48.9		 4pm9A-6bu3A:
97.50