SIMILAR PATTERNS OF AMINO ACIDS FOR 4FH2_A_0RNA303_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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1alq CP254 BETA-LACTAMASE

(Staphylococcus
aureus) 		PF13354
(Beta-lactamase2) 		6 TYR A 105
SER A 130
ASN A 132
LYS A 234
GLY A 236
ARG A 244
 None
 0.63A 4fh2A-1alqA:
25.8		 4fh2A-1alqA:
29.04
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) 		6 SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
ALA A 237
 None
 0.48A 4fh2A-1bsgA:
34.9		 4fh2A-1bsgA:
39.78
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) 		6 SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
ARG A 220
 None
 1.10A 4fh2A-1bsgA:
34.9		 4fh2A-1bsgA:
39.78
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) 		5 SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
 None
 0.67A 4fh2A-1bueA:
34.6		 4fh2A-1bueA:
34.59
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) 		5 SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
 None
 0.67A 4fh2A-1dy6A:
34.7		 4fh2A-1dy6A:
40.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		5 SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
 SO4  A 500 (-2.6A)
None
SO4  A 500 (-3.2A)
SO4  A 500 (-3.8A)
SO4  A 500 (-3.5A)
 0.47A 4fh2A-1e25A:
30.5		 4fh2A-1e25A:
29.31
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
VAL A 216
GLY A 236
ALA A 237
ARG A 244
 None
SO4  A 400 (-2.7A)
None
None
SO4  A 400 (-3.0A)
SO4  A 400 (-3.6A)
SO4  A 400 ( 4.6A)
 0.52A 4fh2A-1g68A:
39.8		 4fh2A-1g68A:
45.22
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) 		6 SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
ALA A  69
 MES  A1000 (-2.7A)
None
MES  A1000 (-2.9A)
MES  A1000 (-3.7A)
MES  A1000 (-3.1A)
None
 1.49A 4fh2A-1hzoA:
36.2		 4fh2A-1hzoA:
38.41
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) 		6 TYR A 105
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
 MES  A1000 (-3.9A)
MES  A1000 (-2.7A)
None
MES  A1000 (-2.9A)
MES  A1000 (-3.7A)
MES  A1000 (-3.1A)
 0.56A 4fh2A-1hzoA:
36.2		 4fh2A-1hzoA:
38.41
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) 		8 TYR A 105
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
ALA A 237
ARG A 244
 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 (-3.5A)
 0.47A 4fh2A-1i2wA:
35.2		 4fh2A-1i2wA:
36.39
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.
1k38 BETA-LACTAMASE OXA-2

(Salmonella
enterica) 		PF00905
(Transpeptidase) 		5 SER A 115
LYS A 205
THR A 206
GLY A 207
ARG A 244
 FMT  A 401 (-2.4A)
FMT  A 401 ( 3.8A)
FMT  A 401 (-3.7A)
FMT  A 401 (-3.6A)
FMT  A 401 (-2.6A)
 0.71A 4fh2A-1k38A:
17.9		 4fh2A-1k38A:
25.50
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) 		5 SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
 SO4  A1002 (-3.1A)
None
SO4  A1002 (-3.6A)
SO4  A1002 (-3.6A)
SO4  A1002 (-3.2A)
 0.53A 4fh2A-1n4oA:
35.9		 4fh2A-1n4oA:
38.63
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) 		9 TYR A 105
SER A 130
ASN A 132
VAL A 216
LYS A 234
THR A 235
GLY A 236
ALA A 237
ARG A 244
 EPE  A 400 (-3.6A)
EPE  A 400 (-2.5A)
None
EPE  A 400 (-4.6A)
EPE  A 400 (-3.1A)
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
EPE  A 400 (-4.0A)
MA4  A 310 ( 3.8A)
 0.41A 4fh2A-1n9bA:
48.4		 4fh2A-1n9bA:
99.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pio BETA-LACTAMASE

(Staphylococcus
aureus) 		PF13354
(Beta-lactamase2) 		5 SER A 130
ASN A 132
LYS A 234
GLY A 236
ARG A 244
 None
 0.84A 4fh2A-1pioA:
32.2		 4fh2A-1pioA:
29.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rgy BETA-LACTAMASE

(Citrobacter
freundii) 		PF00144
(Beta-lactamase) 		5 ASN A 152
LYS A 315
THR A 316
GLY A 317
ARG A 349
 PTX  A 400 (-3.6A)
PTX  A 400 ( 4.5A)
None
PTX  A 400 (-3.3A)
None
 1.23A 4fh2A-1rgyA:
15.2		 4fh2A-1rgyA:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w5d PENICILLIN-BINDING
PROTEIN

(Bacillus
subtilis) 		PF02113
(Peptidase_S13) 		6 SER A 299
ASN A 301
LYS A 411
THR A 412
GLY A 413
ALA A  51
 None
 1.46A 4fh2A-1w5dA:
21.9		 4fh2A-1w5dA:
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.
1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Streptococcus
pneumoniae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		6 SER A 119
ASN A 121
LYS A 239
THR A 240
GLY A 241
ALA A  55
 SO4  A 464 (-3.4A)
None
SO4  A 464 (-3.5A)
SO4  A 464 (-4.0A)
SO4  A 464 ( 3.8A)
None
 1.43A 4fh2A-1xp4A:
21.7		 4fh2A-1xp4A:
22.68
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
VAL A 216
LYS A 234
GLY A 236
ALA A 237
ARG A 244
 None
 0.56A 4fh2A-1zg4A:
43.6		 4fh2A-1zg4A:
62.81
Potential target for repurposing, i.e. matched protein structure has less than 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) 		5 SER B 428
ASN B 430
LYS B 557
THR B 558
GLY B 559
 CL  B 704 (-3.4A)
None
None
CL  B 704 (-4.5A)
CL  B 704 ( 4.0A)
 0.65A 4fh2A-2c6wB:
16.0		 4fh2A-2c6wB:
19.64
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) 		5 SER A 130
ASN A 105
LYS A 234
THR A 235
GLY A 236
 None
 1.31A 4fh2A-2cc1A:
34.8		 4fh2A-2cc1A:
41.39
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) 		5 SER A 130
ASN A 132
LYS A 234
THR A 235
ARG A 278
 None
 0.95A 4fh2A-2cc1A:
34.8		 4fh2A-2cc1A:
41.39
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) 		5 SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
 None
 0.45A 4fh2A-2cc1A:
34.8		 4fh2A-2cc1A:
41.39
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.
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)
 1.42A 4fh2A-2exaA:
18.8		 4fh2A-2exaA:
24.02
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.
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
 0.56A 4fh2A-2fffB:
17.3		 4fh2A-2fffB:
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.
2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN

(Staphylococcus
aureus) 		PF00905
(Transpeptidase) 		5 SER A 439
ASN A 441
LYS A 528
THR A 529
GLY A 530
 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)
 0.50A 4fh2A-2iwbA:
17.6		 4fh2A-2iwbA:
23.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.37A 4fh2A-2j7vA:
29.2		 4fh2A-2j7vA:
27.80
Potential target for repurposing, i.e. matched protein structure has less than 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) 		5 SER F 428
ASN F 430
LYS F 557
THR F 558
GLY F 559
 MES  F1653 (-3.1A)
None
MES  F1653 ( 4.0A)
MES  F1653 (-3.8A)
MES  F1653 (-3.6A)
 0.70A 4fh2A-2v2fF:
16.6		 4fh2A-2v2fF:
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.
2wae PENICILLIN-BINDING
PROTEIN 2B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 SER A 443
ASN A 445
LYS A 615
THR A 616
GLY A 617
 None
 0.56A 4fh2A-2waeA:
16.7		 4fh2A-2waeA:
16.74
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) 		6 TYR A 105
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
 None
 0.58A 4fh2A-2wyxA:
35.3		 4fh2A-2wyxA:
41.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zc7 BETA-LACTAMASE ACT-1

(Klebsiella
pneumoniae) 		PF00144
(Beta-lactamase) 		5 ASN A 152
LYS A 315
THR A 316
GLY A 317
ARG A 349
 None
 1.21A 4fh2A-2zc7A:
13.9		 4fh2A-2zc7A:
23.87
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.
2zj9 AMPC

(Escherichia
coli) 		PF00144
(Beta-lactamase) 		5 ASN A 152
LYS A 315
THR A 316
GLY A 317
ALA A 318
 None
 0.35A 4fh2A-2zj9A:
15.2		 4fh2A-2zj9A:
24.19
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.
3a3i PENICILLIN-BINDING
PROTEIN 4

(Haemophilus
influenzae) 		PF02113
(Peptidase_S13) 		6 SER A 310
ASN A 312
LYS A 420
THR A 421
GLY A 422
ALA A  68
 AIX  A 501 (-2.8A)
AIX  A 501 (-3.3A)
AIX  A 501 ( 3.8A)
AIX  A 501 (-3.4A)
AIX  A 501 (-3.4A)
AIX  A 501 (-3.6A)
 1.47A 4fh2A-3a3iA:
21.4		 4fh2A-3a3iA:
21.89
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) 		6 SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
ALA A 237
 MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.2A)
MER  A 301 (-3.5A)
MER  A 301 (-3.0A)
MER  A 301 (-4.2A)
 0.52A 4fh2A-3bfgA:
36.0		 4fh2A-3bfgA:
40.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bvq NOTI RESTRICTION
ENDONUCLEASE

(Nocardia
otitidiscaviarum) 		PF12183
(NotI) 		5 TYR A 101
SER A  95
VAL A 135
GLY A 179
ALA A 255
 None
 1.26A 4fh2A-3bvqA:
undetectable		 4fh2A-3bvqA:
21.84
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) 		6 SER A 133
ASN A 135
LYS A 237
THR A 238
GLY A 239
ALA A 240
 SO4  A 301 (-2.8A)
None
SO4  A 301 (-3.1A)
SO4  A 301 (-3.9A)
SO4  A 301 (-3.3A)
SO4  A 301 (-3.6A)
 0.45A 4fh2A-3bydA:
36.3		 4fh2A-3bydA:
39.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dwk PENICILLIN-BINDING
PROTEIN 2

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		5 SER A 454
ASN A 456
LYS A 583
THR A 584
GLY A 585
 SO4  A  26 (-3.1A)
None
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.6A)
SO4  A  26 (-3.3A)
 0.58A 4fh2A-3dwkA:
17.7		 4fh2A-3dwkA:
16.24
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.
3hum PENICILLIN-BINDING
PROTEIN 4

(Staphylococcus
aureus) 		PF00768
(Peptidase_S11)
PF09211
(DUF1958) 		6 SER A 139
ASN A 141
LYS A 259
THR A 260
GLY A 261
ALA A  74
 CEW  A 501 (-3.4A)
None
CEW  A 501 ( 4.4A)
CEW  A 501 ( 4.3A)
CEW  A 501 (-3.1A)
CEW  A 501 ( 4.1A)
 1.41A 4fh2A-3humA:
22.9		 4fh2A-3humA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hum PENICILLIN-BINDING
PROTEIN 4

(Staphylococcus
aureus) 		PF00768
(Peptidase_S11)
PF09211
(DUF1958) 		5 SER A 139
LYS A 259
THR A 260
GLY A 261
ARG A 300
 CEW  A 501 (-3.4A)
CEW  A 501 ( 4.4A)
CEW  A 501 ( 4.3A)
CEW  A 501 (-3.1A)
CEW  A 501 ( 4.8A)
 1.16A 4fh2A-3humA:
22.9		 4fh2A-3humA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3if6 OXA-46 OXACILLINASE

(Pseudomonas
aeruginosa) 		PF00905
(Transpeptidase) 		5 SER C 120
LYS C 210
THR C 211
GLY C 212
ARG C 249
 KCX  C  75 ( 3.5A)
KCX  C  75 ( 4.4A)
None
None
None
 0.80A 4fh2A-3if6C:
17.0		 4fh2A-3if6C:
23.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lez BETA-LACTAMASE

(Oceanobacillus
iheyensis) 		PF13354
(Beta-lactamase2) 		8 TYR A 118
SER A 143
ASN A 145
LYS A 247
THR A 248
GLY A 249
ALA A 250
ARG A 256
 EPE  A 305 (-3.3A)
EPE  A 305 (-2.5A)
None
EPE  A 305 (-3.1A)
EPE  A 305 (-3.6A)
EPE  A 305 (-3.4A)
EPE  A 305 ( 4.1A)
EPE  A 305 (-3.7A)
 0.36A 4fh2A-3lezA:
35.1		 4fh2A-3lezA:
40.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mfd D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACB

(Bacillus
subtilis) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		6 SER A 115
ASN A 117
LYS A 220
THR A 221
GLY A 222
ALA A  59
 CIT  A   1 (-2.8A)
None
CIT  A   1 ( 3.7A)
CIT  A   1 (-3.7A)
CIT  A   1 (-3.3A)
CIT  A   1 ( 4.5A)
 1.45A 4fh2A-3mfdA:
22.9		 4fh2A-3mfdA:
23.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mp7 PREPROTEIN
TRANSLOCASE SUBUNIT
SECY

(Pyrococcus
furiosus) 		PF00344
(SecY)
PF10559
(Plug_translocon) 		5 ASN A 286
VAL A  64
THR A 432
GLY A 433
ALA A 421
 None
 1.26A 4fh2A-3mp7A:
undetectable		 4fh2A-3mp7A:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ouh EGL NINE HOMOLOG 1

(Homo sapiens) 		PF13640
(2OG-FeII_Oxy_3) 		5 TYR A 329
ASN A 331
VAL A 376
GLY A 340
ALA A 336
 014  A 417 (-4.7A)
None
014  A 417 (-4.8A)
None
None
 1.14A 4fh2A-3ouhA:
undetectable		 4fh2A-3ouhA:
24.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p09 BETA-LACTAMASE

(Francisella
tularensis) 		PF13354
(Beta-lactamase2) 		5 TYR A  98
SER A 122
LYS A 226
THR A 227
GLY A 228
 None
SO4  A 288 (-2.7A)
SO4  A 288 (-3.5A)
SO4  A 288 (-3.6A)
SO4  A 288 (-3.3A)
 0.76A 4fh2A-3p09A:
33.6		 4fh2A-3p09A:
28.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q7z BETA-LACTAMASE
REGULATORY PROTEIN
BLAR1

(Staphylococcus
aureus) 		PF00905
(Transpeptidase) 		5 SER A 437
ASN A 439
LYS A 526
THR A 527
GLY A 528
 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)
 0.53A 4fh2A-3q7zA:
17.0		 4fh2A-3q7zA:
20.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3qhy BETA-LACTAMASE

(Bacillus
anthracis) 		PF13354
(Beta-lactamase2) 		6 SER A 130
ASN A 132
LYS A 234
GLY A 236
ALA A 237
ARG A 244
 None
 0.45A 4fh2A-3qhyA:
35.0		 4fh2A-3qhyA:
39.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qnb OXACILLINASE

(Escherichia
coli) 		PF00905
(Transpeptidase) 		5 SER A 115
LYS A 205
THR A 206
GLY A 207
ARG A 250
 KCX  A  70 ( 4.6A)
KCX  A  70 ( 4.7A)
SO4  A   4 (-2.9A)
None
SO4  A   4 (-3.4A)
 0.73A 4fh2A-3qnbA:
18.5		 4fh2A-3qnbA:
20.73
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.
3rju BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE

(Yersinia pestis) 		PF00144
(Beta-lactamase) 		5 ASN A 158
VAL A 273
LYS A 299
THR A 300
GLY A 301
 CIT  A 391 ( 4.7A)
CIT  A 391 (-4.7A)
CIT  A 391 ( 4.4A)
CIT  A 391 (-3.4A)
CIT  A 391 (-3.3A)
 0.98A 4fh2A-3rjuA:
15.7		 4fh2A-3rjuA:
24.30
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.
3ue1 PENICILLIN-BINDING
PROTEIN 1A

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		5 SER A 487
ASN A 489
LYS A 669
THR A 670
GLY A 671
 UE1  A 998 (-3.3A)
UE1  A 998 (-2.8A)
UE1  A 998 ( 3.8A)
UE1  A 998 (-3.4A)
UE1  A 998 (-3.4A)
 0.69A 4fh2A-3ue1A:
17.0		 4fh2A-3ue1A:
17.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ue3 SEPTUM FORMATION,
PENICILLIN BINDING
PROTEIN 3,
PEPTIDOGLYCAN
SYNTHETASE

(Acinetobacter
sp. ATCC 27244) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 SER A 390
ASN A 392
LYS A 525
THR A 526
GLY A 527
 None
 0.67A 4fh2A-3ue3A:
18.2		 4fh2A-3ue3A:
17.54
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.
3upn PENICILLIN-BINDING
PROTEIN A

(Mycobacterium
tuberculosis) 		PF00905
(Transpeptidase) 		5 SER A 281
ASN A 283
LYS A 424
THR A 425
GLY A 426
 IM2  A 800 (-3.0A)
IM2  A 800 (-3.3A)
IM2  A 800 ( 3.9A)
IM2  A 800 (-3.5A)
IM2  A 800 (-3.4A)
 0.54A 4fh2A-3upnA:
17.9		 4fh2A-3upnA:
23.93
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.
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)
 1.42A 4fh2A-3v39A:
18.5		 4fh2A-3v39A:
19.53
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.
3vsk PENICILLIN-BINDING
PROTEIN 3

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 SER A 448
ASN A 450
LYS A 618
THR A 619
GLY A 620
 None
 0.87A 4fh2A-3vskA:
17.2		 4fh2A-3vskA:
18.24
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) 		6 TYR A 105
SER A 130
ASN A 132
THR A 235
GLY A 236
ARG A 220
 None
 1.21A 4fh2A-3w4qA:
35.8		 4fh2A-3w4qA:
44.91
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) 		7 TYR A 105
SER A 130
ASN A 132
VAL A 216
LYS A 234
THR A 235
GLY A 236
 None
 0.68A 4fh2A-3w4qA:
35.8		 4fh2A-3w4qA:
44.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zdj ENCA BETA-LACTAMASE

(synthetic
construct) 		PF13354
(Beta-lactamase2) 		8 TYR A 105
ASN A 132
VAL A 216
LYS A 234
THR A 235
GLY A 236
ALA A 237
ARG A 244
 None
None
None
SO4  A1291 (-3.3A)
SO4  A1291 (-3.6A)
SO4  A1291 (-3.3A)
SO4  A1291 (-3.9A)
SO4  A1291 ( 3.6A)
 0.49A 4fh2A-3zdjA:
43.4		 4fh2A-3zdjA:
82.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zdj ENCA BETA-LACTAMASE

(synthetic
construct) 		PF13354
(Beta-lactamase2) 		8 TYR A 105
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
ALA A 237
ARG A 244
 None
SO4  A1291 (-3.1A)
None
SO4  A1291 (-3.3A)
SO4  A1291 (-3.6A)
SO4  A1291 (-3.3A)
SO4  A1291 (-3.9A)
SO4  A1291 ( 3.6A)
 0.47A 4fh2A-3zdjA:
43.4		 4fh2A-3zdjA:
82.95
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.
3zg8 PENICILLIN-BINDING
PROTEIN 4

(Listeria
monocytogenes) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		5 SER B 449
ASN B 451
LYS B 575
THR B 576
GLY B 577
 AIX  B 800 (-2.4A)
AIX  B 800 (-2.7A)
AIX  B 800 ( 4.0A)
AIX  B 800 (-3.4A)
AIX  B 800 ( 3.7A)
 0.61A 4fh2A-3zg8B:
16.6		 4fh2A-3zg8B:
18.78
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) 		6 TYR A 105
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
 None
 0.46A 4fh2A-3znyA:
36.0		 4fh2A-3znyA:
41.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c6y BETA-LACTAMASE

(synthetic
construct) 		PF13354
(Beta-lactamase2) 		6 TYR A 105
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
 PEG  A 307 ( 3.2A)
PEG  A 307 (-2.4A)
PEG  A 307 (-3.1A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-3.0A)
PEG  A 307 (-2.7A)
 0.67A 4fh2A-4c6yA:
39.3		 4fh2A-4c6yA:
52.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c6y BETA-LACTAMASE

(synthetic
construct) 		PF13354
(Beta-lactamase2) 		6 TYR A 105
SER A 130
ASN A 132
THR A 235
GLY A 236
ARG A 220
 PEG  A 307 ( 3.2A)
PEG  A 307 (-2.4A)
PEG  A 307 (-3.1A)
PEG  A 307 (-3.0A)
PEG  A 307 (-2.7A)
PEG  A 307 ( 3.6A)
 1.32A 4fh2A-4c6yA:
39.3		 4fh2A-4c6yA:
52.85
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) 		7 TYR A 105
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
ARG A 244
 None
SO4  A 291 (-2.8A)
None
SO4  A 291 (-3.4A)
SO4  A 291 (-3.8A)
NA  A 294 ( 3.2A)
SO4  A 291 (-4.1A)
 0.58A 4fh2A-4c75A:
38.4		 4fh2A-4c75A:
55.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4d2o PER-2 BETA-LACTAMASE

(Citrobacter
freundii) 		PF13354
(Beta-lactamase2) 		5 SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
 None
 0.32A 4fh2A-4d2oA:
30.0		 4fh2A-4d2oA:
30.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4d2o PER-2 BETA-LACTAMASE

(Citrobacter
freundii) 		PF13354
(Beta-lactamase2) 		5 SER A 130
ASN A 132
THR A 235
GLY A 236
ARG A 220
 None
 1.32A 4fh2A-4d2oA:
30.0		 4fh2A-4d2oA:
30.64
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) 		5 SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
 MER  A 401 (-2.8A)
MER  A 401 (-3.2A)
MER  A 401 (-3.0A)
MER  A 401 (-3.5A)
MER  A 401 (-3.6A)
 0.56A 4fh2A-4ev4A:
35.2		 4fh2A-4ev4A:
37.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gvx 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Burkholderia
multivorans) 		PF13561
(adh_short_C2) 		5 TYR A 117
SER A 139
ASN A 137
GLY A 158
ALA A 159
 None
 1.23A 4fh2A-4gvxA:
undetectable		 4fh2A-4gvxA:
23.00
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.
4hes BETA-LACTAMASE CLASS
A-LIKE PROTEIN

(Veillonella
parvula) 		PF13354
(Beta-lactamase2) 		6 SER A 117
ASN A 119
LYS A 217
THR A 218
GLY A 219
ALA A  55
 GOL  A 301 (-2.7A)
None
GOL  A 301 ( 4.6A)
GOL  A 301 (-3.7A)
GOL  A 301 (-3.5A)
None
 1.50A 4fh2A-4hesA:
28.4		 4fh2A-4hesA:
26.85
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.
4ied CLASS D
BETA-LACTAMASE

(Fusobacterium
nucleatum) 		PF00905
(Transpeptidase) 		5 SER A 106
LYS A 196
THR A 197
GLY A 198
ARG A 239
 KCX  A  60 ( 3.4A)
KCX  A  60 ( 4.5A)
None
None
None
 0.88A 4fh2A-4iedA:
18.6		 4fh2A-4iedA:
21.48
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.
4k0x BETA-LACTAMASE

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase) 		5 SER A 126
LYS A 216
THR A 217
GLY A 218
ARG A 259
 BCT  A 301 (-2.8A)
BCT  A 301 (-3.0A)
BCT  A 301 (-3.5A)
BCT  A 301 (-3.4A)
BCT  A 301 (-3.0A)
 0.85A 4fh2A-4k0xA:
18.3		 4fh2A-4k0xA:
24.21
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.
4mll BETA-LACTAMASE OXA-1

(Escherichia
coli) 		PF00905
(Transpeptidase) 		5 SER A 115
LYS A 212
THR A 213
GLY A 214
ALA A 215
 1S6  A 301 (-2.9A)
None
1S6  A 301 (-3.6A)
1S6  A 301 (-3.3A)
1S6  A 301 (-3.7A)
 0.66A 4fh2A-4mllA:
19.4		 4fh2A-4mllA:
20.00
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.
4mnr PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Eggerthella
lenta) 		PF00905
(Transpeptidase) 		5 SER A 237
ASN A 239
LYS A 397
THR A 398
GLY A 399
 None
 0.55A 4fh2A-4mnrA:
17.9		 4fh2A-4mnrA:
21.48
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.
4oon PENICILLIN-BINDING
PROTEIN 1A

(Pseudomonas
aeruginosa) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		5 SER A 520
ASN A 522
LYS A 695
THR A 696
GLY A 697
 2U4  A 901 (-3.6A)
2U4  A 901 (-2.9A)
2U4  A 901 ( 4.3A)
2U4  A 901 (-3.7A)
2U4  A 901 (-3.7A)
 0.58A 4fh2A-4oonA:
17.0		 4fh2A-4oonA:
15.30
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) 		5 SER A 361
ASN A 363
LYS A 500
THR A 501
GLY A 502
 CA  A 601 ( 3.8A)
None
CA  A 601 ( 4.1A)
CA  A 601 (-4.0A)
CA  A 601 ( 4.2A)
 0.55A 4fh2A-4ovdA:
17.5		 4fh2A-4ovdA:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 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) 		5 SER A 737
ASN A 739
LYS A 890
THR A 891
GLY A 892
 NXU  A1001 (-3.2A)
NXU  A1001 (-3.5A)
NXU  A1001 (-3.5A)
NXU  A1001 (-3.3A)
NXU  A1001 (-3.4A)
 0.53A 4fh2A-4ra7A:
17.2		 4fh2A-4ra7A:
23.74
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) 		5 SER A 131
ASN A 133
LYS A 233
THR A 234
GLY A 235
 ACT  A 301 (-2.9A)
None
ACT  A 301 (-3.4A)
ACT  A 301 (-3.5A)
ACT  A 301 (-3.3A)
 0.52A 4fh2A-4yfmA:
34.7		 4fh2A-4yfmA:
35.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2

(Legionella
pneumophila) 		PF00905
(Transpeptidase) 		5 SER A 454
ASN A 456
LYS A 568
THR A 569
GLY A 570
 NHE  A 901 (-2.9A)
None
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
NHE  A 901 (-3.6A)
 0.62A 4fh2A-4ztkA:
16.9		 4fh2A-4ztkA:
23.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5aqa OFF7_DB04V3

(synthetic
construct) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13354
(Beta-lactamase2) 		7 SER A 260
ASN A 262
VAL A 346
LYS A 364
GLY A 366
ALA A 367
ARG A 373
 None
 0.61A 4fh2A-5aqaA:
42.7		 4fh2A-5aqaA:
42.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5aqa OFF7_DB04V3

(synthetic
construct) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13354
(Beta-lactamase2) 		6 TYR A 235
SER A 260
ASN A 262
LYS A 364
GLY A 366
ARG A 373
 None
 1.39A 4fh2A-5aqaA:
42.7		 4fh2A-5aqaA:
42.65
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.42A 4fh2A-5cerA:
19.4		 4fh2A-5cerA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cxw PENICILLIN-BINDING
PROTEIN 1A

(Mycobacterium
tuberculosis) 		PF00905
(Transpeptidase) 		5 SER A 398
ASN A 400
LYS A 539
THR A 540
GLY A 541
 35P  A 702 (-2.9A)
35P  A 702 (-3.1A)
35P  A 702 (-3.3A)
35P  A 702 (-3.5A)
35P  A 702 (-3.5A)
 0.52A 4fh2A-5cxwA:
17.7		 4fh2A-5cxwA:
21.48
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) 		6 TYR A  82
SER A 107
ASN A 109
LYS A 211
THR A 212
ARG A 251
 None
 1.20A 4fh2A-5e2eA:
35.8		 4fh2A-5e2eA:
39.48
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) 		6 TYR A  82
SER A 107
ASN A 109
LYS A 211
THR A 212
GLY A 213
 None
 0.59A 4fh2A-5e2eA:
35.8		 4fh2A-5e2eA:
39.48
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.
5e31 PENICILLIN BINDING
PROTEIN 2 PRIME

(Enterococcus
faecium) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF05223
(MecA_N) 		5 SER A 480
ASN A 482
LYS A 617
THR A 618
GLY A 619
 None
 0.72A 4fh2A-5e31A:
18.2		 4fh2A-5e31A:
19.44
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) 		5 SER A 131
ASN A 133
LYS A 235
THR A 236
GLY A 237
 ACT  A 311 (-3.0A)
None
ACT  A 311 (-3.3A)
ACT  A 311 (-3.7A)
ACT  A 311 (-3.2A)
 0.50A 4fh2A-5e43A:
35.7		 4fh2A-5e43A:
38.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eoe BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		6 TYR A  97
SER A 123
ASN A 125
LYS A 227
THR A 228
GLY A 229
 CIT  A 303 (-4.1A)
CIT  A 303 (-2.5A)
CIT  A 303 (-3.2A)
CIT  A 303 (-3.5A)
CIT  A 303 (-3.6A)
CIT  A 303 (-3.5A)
 0.50A 4fh2A-5eoeA:
38.0		 4fh2A-5eoeA:
37.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5f83 BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		6 SER A 125
ASN A 127
LYS A 229
THR A 230
GLY A 231
ARG A 238
 IM2  A 301 (-2.7A)
IM2  A 301 (-3.2A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.6A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.5A)
 0.48A 4fh2A-5f83A:
37.5		 4fh2A-5f83A:
36.00
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 TYR A 105
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
 None
 0.68A 4fh2A-5gl9A:
35.9		 4fh2A-5gl9A:
46.91
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 TYR A 105
SER A 130
ASN A 132
THR A 235
GLY A 236
ARG A 220
 None
 1.40A 4fh2A-5gl9A:
35.9		 4fh2A-5gl9A:
46.91
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.
5hlb PENICILLIN-BINDING
PROTEIN 1B

(Escherichia
coli) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF14814
(UB2H) 		5 SER A 572
ASN A 574
LYS A 698
THR A 699
GLY A 700
 AZR  A 902 ( 3.7A)
AZR  A 902 (-3.4A)
AZR  A 902 ( 4.5A)
AZR  A 902 (-3.5A)
AZR  A 902 (-3.3A)
 0.73A 4fh2A-5hlbA:
18.4		 4fh2A-5hlbA:
17.33
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.
5ll7 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 5 SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
 6YV  A 301 (-2.6A)
6YV  A 301 (-3.7A)
6YV  A 301 (-3.6A)
6YV  A 301 (-3.6A)
6YV  A 301 ( 4.0A)
 0.41A 4fh2A-5ll7A:
35.2		 4fh2A-5ll7A:
16.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tfq BETA-LACTAMASE

(Bacteroides
cellulosilyticus) 		PF13354
(Beta-lactamase2) 		6 TYR A  85
SER A 112
ASN A 114
LYS A 215
THR A 216
GLY A 217
 None
PO4  A 301 (-2.6A)
None
PO4  A 301 (-3.2A)
PO4  A 301 ( 3.6A)
PO4  A 301 (-3.3A)
 0.49A 4fh2A-5tfqA:
31.3		 4fh2A-5tfqA:
25.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tr7 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Vibrio cholerae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		5 SER A 129
ASN A 131
LYS A 232
THR A 233
GLY A 234
 None
 0.62A 4fh2A-5tr7A:
22.7		 4fh2A-5tr7A:
23.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tro PENICILLIN-BINDING
PROTEIN 1

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 SER A 368
ASN A 370
LYS A 513
THR A 514
GLY A 515
 None
 0.52A 4fh2A-5troA:
19.2		 4fh2A-5troA:
17.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ty7 PENICILLIN-BINDING
PROTEIN 4

(Staphylococcus
aureus) 		no annotation 5 SER A 139
ASN A 141
LYS A 259
THR A 260
GLY A 261
 NFF  A 401 (-3.4A)
None
NFF  A 401 ( 4.8A)
NFF  A 401 (-3.9A)
NFF  A 401 (-3.7A)
 0.71A 4fh2A-5ty7A:
21.2		 4fh2A-5ty7A:
13.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u2g PENICILLIN-BINDING
PROTEIN 1A

(Haemophilus
influenzae) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		5 SER A 510
ASN A 512
LYS A 728
THR A 729
GLY A 730
 None
None
None
CL  A 910 ( 4.2A)
None
 0.81A 4fh2A-5u2gA:
17.8		 4fh2A-5u2gA:
15.99
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.
5x5g BETA-LACTAMASE

(Serratia
marcescens) 		PF13354
(Beta-lactamase2) 		5 SER A 120
ASN A 122
LYS A 224
THR A 225
GLY A 226
 OP0  A 305 (-2.7A)
OP0  A 305 (-3.1A)
OP0  A 305 (-3.4A)
OP0  A 305 (-3.7A)
OP0  A 305 (-3.2A)
 0.46A 4fh2A-5x5gA:
31.3		 4fh2A-5x5gA:
24.21
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) 		5 SER A 120
ASN A 122
THR A 225
GLY A 226
ARG A 210
 OP0  A 305 (-2.7A)
OP0  A 305 (-3.1A)
OP0  A 305 (-3.7A)
OP0  A 305 (-3.2A)
OP0  A 305 (-3.6A)
 1.32A 4fh2A-5x5gA:
31.3		 4fh2A-5x5gA:
24.21
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.
5zqe -

(-) 		no annotation 5 SER A 118
ASN A 120
LYS A 222
THR A 223
GLY A 224
 CES  A 301 ( 3.7A)
CES  A 301 (-3.3A)
None
CES  A 301 (-3.6A)
CES  A 301 (-3.2A)
 0.58A 4fh2A-5zqeA:
22.5		 4fh2A-5zqeA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zqe -

(-) 		no annotation 5 SER A 118
ASN A 120
THR A 223
GLY A 224
ARG A 257
 CES  A 301 ( 3.7A)
CES  A 301 (-3.3A)
CES  A 301 (-3.6A)
CES  A 301 (-3.2A)
CES  A 301 (-2.9A)
 1.14A 4fh2A-5zqeA:
22.5		 4fh2A-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.
6bu3 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 6 TYR A 105
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
 3GK  A 302 ( 3.5A)
3GK  A 301 (-2.7A)
3GK  A 301 (-3.5A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.7A)
3GK  A 301 (-3.4A)
 0.38A 4fh2A-6bu3A:
36.4		 4fh2A-6bu3A:
16.33