SIMILAR PATTERNS OF AMINO ACIDS FOR 6C79_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
Potential target for repurposing, i.e. matched protein structure has less than 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
ASN A 170
LYS A 234
GLY A 236
 None
 0.61A 6c79A-1alqA:
28.1		 6c79A-1alqA:
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.
1bsg BETA LACTAMASE

(Streptomyces
albus) 		PF13354
(Beta-lactamase2) 		7 SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 236
GLY A 238
 None
 0.35A 6c79A-1bsgA:
43.0		 6c79A-1bsgA:
20.79
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.
1bue PROTEIN
(IMIPENEM-HYDROLYSIN
G BETA-LACTAMASE)

(Enterobacter
cloacae) 		PF13354
(Beta-lactamase2) 		5 SER A 130
ASN A 132
ASN A 170
THR A 216
GLY A 239
 None
 0.83A 6c79A-1bueA:
41.2		 6c79A-1bueA:
14.22
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.
1bue PROTEIN
(IMIPENEM-HYDROLYSIN
G BETA-LACTAMASE)

(Enterobacter
cloacae) 		PF13354
(Beta-lactamase2) 		6 SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 236
 None
 0.64A 6c79A-1bueA:
41.2		 6c79A-1bueA:
14.22
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.
1bue PROTEIN
(IMIPENEM-HYDROLYSIN
G BETA-LACTAMASE)

(Enterobacter
cloacae) 		PF13354
(Beta-lactamase2) 		6 SER A 130
ASN A 170
THR A 216
LYS A 234
GLY A 236
SER A 237
 None
 0.78A 6c79A-1bueA:
41.2		 6c79A-1bueA:
14.22
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.
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 236
 None
 0.56A 6c79A-1dy6A:
41.3		 6c79A-1dy6A:
16.67
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.
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
 0.82A 6c79A-1dy6A:
41.3		 6c79A-1dy6A:
16.67
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.
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
 0.74A 6c79A-1dy6A:
41.3		 6c79A-1dy6A:
16.67
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.
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		5 SER A 130
ASN A 132
THR A 216
LYS A 234
GLY A 236
 SO4  A 500 (-2.6A)
None
SO4  A 500 ( 4.0A)
SO4  A 500 (-3.2A)
SO4  A 500 (-3.5A)
 0.28A 6c79A-1e25A:
32.7		 6c79A-1e25A:
11.39
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.
1ffv CUTM, FLAVOPROTEIN
OF CARBON MONOXIDE
DEHYDROGENASE
CUTS, IRON-SULFUR
PROTEIN OF CARBON
MONOXIDE
DEHYDROGENASE

(Hydrogenophaga
pseudoflava) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01799
(Fer2_2)
PF03450
(CO_deh_flav_C) 		5 ASN C 108
ASN C  79
THR C 190
GLY A 130
ASN A 134
 None
 1.15A 6c79A-1ffvC:
undetectable		 6c79A-1ffvC:
14.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1g68 BETA-LACTAMASE PSE-4

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		5 TYR A 105
ASN A 132
ASN A 170
GLY A 236
GLY A 238
 None
None
None
SO4  A 400 (-3.0A)
None
 0.51A 6c79A-1g68A:
39.5		 6c79A-1g68A:
37.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1g68 BETA-LACTAMASE PSE-4

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		5 TYR A 105
SER A 130
ASN A 132
GLY A 236
GLY A 238
 None
SO4  A 400 (-2.7A)
None
SO4  A 400 (-3.0A)
None
 0.62A 6c79A-1g68A:
39.5		 6c79A-1g68A:
37.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hzo BETA-LACTAMASE

(Proteus
vulgaris) 		PF13354
(Beta-lactamase2) 		9 TYR A 105
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 236
SER A 237
GLY A 238
 MES  A1000 (-3.9A)
MES  A1000 (-2.7A)
None
None
MES  A1000 (-3.7A)
MES  A1000 (-2.9A)
MES  A1000 (-3.1A)
MES  A1000 (-2.7A)
None
 0.59A 6c79A-1hzoA:
46.6		 6c79A-1hzoA:
62.65
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 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 (-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)
 0.36A 6c79A-1i2wA:
41.4		 6c79A-1i2wA:
36.46
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.31A 6c79A-1j9mA:
22.3		 6c79A-1j9mA:
20.11
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
GLY A 236
SER A 237
 SO4  A1002 (-3.1A)
None
None
SO4  A1002 ( 4.8A)
SO4  A1002 (-3.6A)
SO4  A1002 (-3.2A)
SO4  A1002 (-2.7A)
 0.37A 6c79A-1n4oA:
40.5		 6c79A-1n4oA:
31.30
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.
1n9b BETA-LACTAMASE SHV-2

(Klebsiella
pneumoniae) 		PF13354
(Beta-lactamase2) 		6 TYR A 105
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
 EPE  A 400 (-3.6A)
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.1A)
 0.58A 6c79A-1n9bA:
35.4		 6c79A-1n9bA:
15.29
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.
1pio BETA-LACTAMASE

(Staphylococcus
aureus) 		PF13354
(Beta-lactamase2) 		5 SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
 None
 0.77A 6c79A-1pioA:
37.6		 6c79A-1pioA:
20.74
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.
1tu2 APOCYTOCHROME F

(Nostoc sp. PCC
7119) 		PF01333
(Apocytochr_F_C)
PF16639
(Apocytochr_F_N) 		5 ALA B  28
ASN B 234
LYS B  30
GLY B 239
GLY B 158
 None
None
None
None
HEC  B 255 (-3.7A)
 0.77A 6c79A-1tu2B:
undetectable		 6c79A-1tu2B:
13.28
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.
1uqx LECTIN

(Ralstonia
solanacearum) 		PF07472
(PA-IIL) 		5 ALA A  22
ASN A  69
GLY A  44
SER A  43
GLY A  42
 MMA  A1116 (-3.3A)
None
None
None
None
 1.14A 6c79A-1uqxA:
undetectable		 6c79A-1uqxA:
24.14
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.
1w5d PENICILLIN-BINDING
PROTEIN

(Bacillus
subtilis) 		PF02113
(Peptidase_S13) 		5 SER A 299
ASN A 301
THR A 394
LYS A 411
GLY A 413
 None
 0.32A 6c79A-1w5dA:
21.0		 6c79A-1w5dA:
10.82
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) 		5 SER A 119
ASN A 121
THR A 221
LYS A 239
GLY A 241
 SO4  A 464 (-3.4A)
None
SO4  A 464 ( 4.0A)
SO4  A 464 (-3.5A)
SO4  A 464 ( 3.8A)
 0.35A 6c79A-1xp4A:
20.8		 6c79A-1xp4A:
12.94
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.
1zg4 BETA-LACTAMASE TEM

(Escherichia
coli) 		PF13354
(Beta-lactamase2) 		7 TYR A 105
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
GLY A 238
 None
 0.50A 6c79A-1zg4A:
38.2		 6c79A-1zg4A:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 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
THR B 543
LYS B 557
GLY B 559
 CL  B 704 (-3.4A)
None
CL  B 704 ( 4.8A)
None
CL  B 704 ( 4.0A)
 0.49A 6c79A-2c6wB:
16.8		 6c79A-2c6wB:
15.89
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.
2cc1 BETA-LACTAMASE

(Mycolicibacterium
fortuitum) 		PF13354
(Beta-lactamase2) 		7 SER A 130
ASN A 105
THR A 216
LYS A 234
GLY A 236
SER A 237
GLY A 238
 None
 1.21A 6c79A-2cc1A:
41.0		 6c79A-2cc1A:
15.48
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.
2cc1 BETA-LACTAMASE

(Mycolicibacterium
fortuitum) 		PF13354
(Beta-lactamase2) 		8 SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 236
GLY A 238
ASN A 276
 None
 0.33A 6c79A-2cc1A:
41.0		 6c79A-2cc1A:
15.48
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.
2cc1 BETA-LACTAMASE

(Mycolicibacterium
fortuitum) 		PF13354
(Beta-lactamase2) 		8 SER A 130
ASN A 170
THR A 216
LYS A 234
GLY A 236
SER A 237
GLY A 238
ASN A 276
 None
 0.58A 6c79A-2cc1A:
41.0		 6c79A-2cc1A:
15.48
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.
2fff PENICILLIN-BINDING
PROTEIN 1B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		6 TYR B 498
SER B 516
ASN B 518
THR B 629
LYS B 651
GLY B 653
 None
 0.58A 6c79A-2fffB:
16.9		 6c79A-2fffB:
10.73
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.
2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN

(Staphylococcus
aureus) 		PF00905
(Transpeptidase) 		5 SER A 439
ASN A 441
LYS A 528
GLY A 530
GLY A 532
 GOL  A 604 (-2.6A)
GOL  A 605 (-2.8A)
GOL  A 604 (-2.9A)
GOL  A 605 ( 3.2A)
None
 0.29A 6c79A-2iwbA:
19.8		 6c79A-2iwbA:
14.22
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.
2jch PENICILLIN-BINDING
PROTEIN 1B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		6 TYR A 498
SER A 516
ASN A 518
THR A 629
LYS A 651
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 (-3.3A)
 0.67A 6c79A-2jchA:
15.7		 6c79A-2jchA:
7.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q2r GLUCOKINASE 1,
PUTATIVE

(Trypanosoma
cruzi) 		PF02685
(Glucokinase) 		5 ALA A 242
ASN A 234
ASN A 237
GLY A 241
GLY A 186
 None
None
None
ADP  A2001 (-3.2A)
BGC  A1001 (-3.6A)
 1.14A 6c79A-2q2rA:
undetectable		 6c79A-2q2rA:
12.33
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.
2v2f PENICILLIN BINDING
PROTEIN 1A

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		5 SER F 428
ASN F 430
THR F 543
LYS F 557
GLY F 559
 MES  F1653 (-3.1A)
None
MES  F1653 (-3.7A)
MES  F1653 ( 4.0A)
MES  F1653 (-3.6A)
 0.47A 6c79A-2v2fF:
17.6		 6c79A-2v2fF:
13.35
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.
2wae PENICILLIN-BINDING
PROTEIN 2B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 SER A 443
ASN A 445
THR A 600
LYS A 615
GLY A 617
 None
 0.34A 6c79A-2waeA:
16.0		 6c79A-2waeA:
9.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wlt L-ASPARAGINASE

(Helicobacter
pylori) 		PF00710
(Asparaginase) 		5 ALA A  24
ASN A 123
GLY A  21
SER A  20
GLY A  19
 None
 0.93A 6c79A-2wltA:
undetectable		 6c79A-2wltA:
13.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wyx BETA-LACTAMSE TOHO-1

(Escherichia
coli) 		PF13354
(Beta-lactamase2) 		11 ASN A 104
TYR A 105
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 236
SER A 237
GLY A 238
ASN A 274
 None
 0.39A 6c79A-2wyxA:
47.7		 6c79A-2wyxA:
98.72
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.
2xfs ORF12

(Streptomyces
clavuligerus) 		PF13354
(Beta-lactamase2) 		6 ALA A 173
SER A 234
ASN A 236
LYS A 375
GLY A 377
SER A 378
 J01  A 600 ( 4.0A)
J01  A 600 (-3.4A)
None
J01  A 600 ( 4.4A)
J01  A 600 ( 3.8A)
J01  A 600 (-3.4A)
 0.32A 6c79A-2xfsA:
23.0		 6c79A-2xfsA:
9.69
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.
2z2m PENICILLIN-BINDING
PROTEIN 2X

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		5 SER B 395
ASN B 397
THR B 526
LYS B 547
GLY B 549
 CDS  B 901 ( 3.2A)
CDS  B 901 ( 3.0A)
CDS  B 901 ( 4.1A)
CDS  B 901 ( 3.9A)
CDS  B 901 ( 3.4A)
 0.23A 6c79A-2z2mB:
16.6		 6c79A-2z2mB:
11.75
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.
3a3i PENICILLIN-BINDING
PROTEIN 4

(Haemophilus
influenzae) 		PF02113
(Peptidase_S13) 		6 SER A 310
ASN A 312
THR A 401
LYS A 420
GLY A 422
SER A 423
 AIX  A 501 (-2.8A)
AIX  A 501 (-3.3A)
AIX  A 501 ( 4.0A)
AIX  A 501 ( 3.8A)
AIX  A 501 (-3.4A)
AIX  A 501 (-2.5A)
 0.67A 6c79A-3a3iA:
20.5		 6c79A-3a3iA:
13.24
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
THR A 216
LYS A 234
GLY A 236
 MER  A 301 ( 4.1A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-2.6A)
MER  A 301 (-3.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.0A)
 0.38A 6c79A-3bfgA:
47.4		 6c79A-3bfgA:
72.84
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.
3byd BETA-LACTAMASE OXY-1

(Klebsiella
oxytoca) 		PF13354
(Beta-lactamase2) 		7 SER A 133
ASN A 135
ASN A 173
THR A 219
LYS A 237
GLY A 239
GLY A 241
 SO4  A 301 (-2.8A)
None
None
SO4  A 301 ( 4.0A)
SO4  A 301 (-3.1A)
SO4  A 301 (-3.3A)
None
 0.30A 6c79A-3bydA:
47.6		 6c79A-3bydA:
26.29
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.
3cjm PUTATIVE
BETA-LACTAMASE

(Enterococcus
faecalis) 		PF13354
(Beta-lactamase2) 		5 SER A 169
ASN A 171
LYS A 257
GLY A 259
SER A 260
 None
NO3  A   1 ( 4.7A)
None
None
EDO  A   7 ( 4.0A)
 0.59A 6c79A-3cjmA:
27.4		 6c79A-3cjmA:
16.25
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.
3dwk PENICILLIN-BINDING
PROTEIN 2

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		5 SER A 454
ASN A 456
LYS A 583
GLY A 585
GLY A 587
 SO4  A  26 (-3.1A)
None
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.3A)
None
 0.50A 6c79A-3dwkA:
18.2		 6c79A-3dwkA:
11.21
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.
3dwz BETA-LACTAMASE

(Mycobacterium
tuberculosis) 		PF13354
(Beta-lactamase2) 		6 SER A 142
ASN A 186
THR A 232
LYS A 250
GLY A 252
GLY A 254
 DWZ  A 400 (-2.7A)
DWZ  A 400 ( 4.0A)
DWZ  A 400 ( 4.5A)
DWZ  A 400 ( 3.8A)
DWZ  A 400 (-3.3A)
None
 0.38A 6c79A-3dwzA:
41.5		 6c79A-3dwzA:
20.57
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.
3lez BETA-LACTAMASE

(Oceanobacillus
iheyensis) 		PF13354
(Beta-lactamase2) 		7 TYR A 118
ASN A 145
ASN A 183
THR A 229
LYS A 247
GLY A 249
GLY A 251
 EPE  A 305 (-3.3A)
None
None
EPE  A 305 ( 3.9A)
EPE  A 305 (-3.1A)
EPE  A 305 (-3.4A)
None
 0.47A 6c79A-3lezA:
41.4		 6c79A-3lezA:
13.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.62A 6c79A-3lezA:
41.4		 6c79A-3lezA:
13.31
Potential target for repurposing, i.e. matched protein structure has less than 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) 		6 TYR A  98
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)
 0.77A 6c79A-3p09A:
39.8		 6c79A-3p09A:
13.84
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.
3q7z BETA-LACTAMASE
REGULATORY PROTEIN
BLAR1

(Staphylococcus
aureus) 		PF00905
(Transpeptidase) 		5 SER A 437
ASN A 439
LYS A 526
GLY A 528
GLY A 530
 BOU  A 584 (-2.8A)
BOU  A 584 (-3.5A)
BOU  A 584 (-3.3A)
BOU  A 584 (-3.7A)
BOU  A 584 ( 3.9A)
 0.30A 6c79A-3q7zA:
18.4		 6c79A-3q7zA:
16.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qhy BETA-LACTAMASE

(Bacillus
anthracis) 		PF13354
(Beta-lactamase2) 		7 SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 236
GLY A 238
 None
 0.42A 6c79A-3qhyA:
41.5		 6c79A-3qhyA:
15.44
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.
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
THR A 511
LYS A 525
GLY A 527
 None
 0.70A 6c79A-3ue3A:
17.3		 6c79A-3ue3A:
9.93
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) 		5 SER A 251
ASN A 253
THR A 342
LYS A 357
GLY A 359
 TAU  A 501 (-2.6A)
TAU  A 501 (-3.1A)
None
TAU  A 501 ( 4.3A)
TAU  A 501 (-3.5A)
 0.27A 6c79A-3v39A:
17.5		 6c79A-3v39A:
12.89
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.
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
 0.46A 6c79A-3vskA:
16.6		 6c79A-3vskA:
8.41
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) 		5 ASN A 104
TYR A 105
LYS A 234
GLY A 236
GLY A 238
 None
 1.10A 6c79A-3w4qA:
44.3		 6c79A-3w4qA:
53.75
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
ASN A 170
LYS A 234
GLY A 236
GLY A 238
 None
 0.43A 6c79A-3w4qA:
44.3		 6c79A-3w4qA:
53.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zdj ENCA BETA-LACTAMASE

(synthetic
construct) 		PF13354
(Beta-lactamase2) 		7 TYR A 105
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
GLY A 238
 None
SO4  A1291 (-3.1A)
None
None
SO4  A1291 (-3.3A)
SO4  A1291 (-3.3A)
None
 0.46A 6c79A-3zdjA:
38.6		 6c79A-3zdjA:
34.15
Potential target for repurposing, i.e. matched protein structure has less than 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
GLY B 577
SER B 578
 AIX  B 800 (-2.4A)
AIX  B 800 (-2.7A)
AIX  B 800 ( 3.8A)
AIX  B 800 ( 4.0A)
AIX  B 800 ( 3.7A)
AIX  B 800 (-3.0A)
 0.47A 6c79A-3zg8B:
17.5		 6c79A-3zg8B:
9.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zny CTX-M-12A ENZYME

(Klebsiella
pneumoniae) 		PF13354
(Beta-lactamase2) 		9 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 6c79A-3znyA:
47.9		 6c79A-3znyA:
86.25
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.
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp. R39) 		PF02113
(Peptidase_S13) 		5 SER A 298
ASN A 300
THR A 393
LYS A 410
GLY A 412
 B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 ( 4.8A)
B07  A 500 (-1.6A)
B07  A 500 (-3.2A)
 0.34A 6c79A-3zvtA:
20.8		 6c79A-3zvtA:
11.53
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.
4avo BETA-1,4-EXOCELLULAS
E

(Thermobifida
fusca) 		PF01341
(Glyco_hydro_6) 		5 ALA A 499
ASN A 505
GLY A 498
SER A 539
GLY A 540
 None
None
None
BGC  A 601 (-3.2A)
BGC  A 601 (-3.6A)
 1.13A 6c79A-4avoA:
undetectable		 6c79A-4avoA:
9.79
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.
4b45 CELL DIVISION
PROTEIN FTSZ

(Haloferax
volcanii) 		PF00091
(Tubulin) 		6 ALA A 112
THR A 152
GLY A 110
SER A 109
GLY A 105
ASN A 145
 None
None
None
None
GSP  A1342 (-3.4A)
None
 1.44A 6c79A-4b45A:
undetectable		 6c79A-4b45A:
13.86
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
ASN A 170
THR A 216
LYS A 234
GLY A 236
GLY A 238
 PEG  A 307 ( 3.2A)
PEG  A 307 (-2.4A)
PEG  A 307 (-3.1A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-2.7A)
None
 0.53A 6c79A-4c6yA:
43.1		 6c79A-4c6yA:
51.85
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) 		8 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
SO4  A 291 (-2.8A)
None
None
SO4  A 291 ( 4.1A)
SO4  A 291 (-3.4A)
NA  A 294 ( 3.2A)
None
 0.44A 6c79A-4c75A:
42.4		 6c79A-4c75A:
49.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d2o PER-2 BETA-LACTAMASE

(Citrobacter
freundii) 		PF13354
(Beta-lactamase2) 		5 SER A 130
ASN A 132
THR A 216
LYS A 234
GLY A 236
 None
 0.55A 6c79A-4d2oA:
32.3		 6c79A-4d2oA:
16.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1

(Serratia
fonticola) 		PF13354
(Beta-lactamase2) 		6 SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 236
 MER  A 401 (-2.8A)
MER  A 401 (-3.2A)
MER  A 401 (-2.9A)
MER  A 401 ( 3.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.6A)
 0.45A 6c79A-4ev4A:
42.3		 6c79A-4ev4A:
15.19
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.
4ewf BETA-LACTAMASE

(Sphaerobacter
thermophilus) 		PF13354
(Beta-lactamase2) 		5 SER A 110
ASN A 112
LYS A 213
GLY A 215
SER A 216
 SO4  A 301 (-3.1A)
None
SO4  A 301 (-3.0A)
SO4  A 301 (-3.5A)
SO4  A 301 (-2.4A)
 0.66A 6c79A-4ewfA:
32.2		 6c79A-4ewfA:
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.
4hes BETA-LACTAMASE CLASS
A-LIKE PROTEIN

(Veillonella
parvula) 		PF13354
(Beta-lactamase2) 		6 SER A 117
ASN A 119
LYS A 217
GLY A 219
SER A 220
ASN A 249
 GOL  A 301 (-2.7A)
None
GOL  A 301 ( 4.6A)
GOL  A 301 (-3.5A)
GOL  A 301 (-4.8A)
None
 0.85A 6c79A-4hesA:
29.5		 6c79A-4hesA:
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.
4iss ALLOPHANATE
HYDROLASE

(Kluyveromyces
lactis) 		PF01425
(Amidase) 		5 ALA A 183
ASN A 381
GLY A 427
SER A 417
GLY A 418
 None
 1.12A 6c79A-4issA:
undetectable		 6c79A-4issA:
10.25
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.
4mnr PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Eggerthella
lenta) 		PF00905
(Transpeptidase) 		5 SER A 237
ASN A 239
THR A 383
LYS A 397
GLY A 399
 None
 0.29A 6c79A-4mnrA:
17.6		 6c79A-4mnrA:
10.77
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.
4mnr PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Eggerthella
lenta) 		PF00905
(Transpeptidase) 		5 SER A 237
THR A 383
LYS A 397
GLY A 399
ASN A 407
 None
 1.05A 6c79A-4mnrA:
17.6		 6c79A-4mnrA:
10.77
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.
4oon PENICILLIN-BINDING
PROTEIN 1A

(Pseudomonas
aeruginosa) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		5 SER A 520
ASN A 522
THR A 680
LYS A 695
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)
 0.76A 6c79A-4oonA:
16.6		 6c79A-4oonA:
6.71
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.80A 6c79A-4ovdA:
17.4		 6c79A-4ovdA:
10.71
Potential target for repurposing, i.e. matched protein structure has less than 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
THR A 876
LYS A 890
GLY A 892
 NXU  A1001 (-3.2A)
NXU  A1001 (-3.5A)
NXU  A1001 (-4.0A)
NXU  A1001 (-3.5A)
NXU  A1001 (-3.4A)
 0.34A 6c79A-4ra7A:
16.5		 6c79A-4ra7A:
12.22
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.
4yfm BETA-LACTAMASE

(Mycobacteroides
abscessus) 		PF13354
(Beta-lactamase2) 		7 SER A 131
ASN A 133
ASN A 171
THR A 215
LYS A 233
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 (-3.3A)
None
 0.37A 6c79A-4yfmA:
42.4		 6c79A-4yfmA:
15.19
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.
4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2

(Legionella
pneumophila) 		PF00905
(Transpeptidase) 		5 SER A 454
ASN A 456
THR A 554
LYS A 568
GLY A 570
 NHE  A 901 (-2.9A)
None
NHE  A 901 ( 4.2A)
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
 0.28A 6c79A-4ztkA:
16.6		 6c79A-4ztkA:
15.61
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.
5aqa OFF7_DB04V3

(synthetic
construct) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13354
(Beta-lactamase2) 		6 SER A 260
ASN A 262
ASN A 300
LYS A 364
GLY A 366
GLY A 368
 None
 0.42A 6c79A-5aqaA:
37.4		 6c79A-5aqaA:
11.36
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.
5cer BD0816

(Bdellovibrio
bacteriovorus) 		PF02113
(Peptidase_S13) 		6 ALA A  58
SER A 239
ASN A 241
THR A 330
LYS A 345
GLY A 347
 None
 0.25A 6c79A-5cerA:
18.1		 6c79A-5cerA:
11.11
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.
5ctm BETA-LACTAMASE

(Bacillus
pumilus) 		PF00905
(Transpeptidase) 		5 SER A 149
LYS A 239
GLY A 241
SER A 242
GLY A 243
 FLC  A 301 (-2.5A)
FLC  A 301 (-3.0A)
FLC  A 301 (-3.2A)
FLC  A 301 (-2.8A)
None
 0.67A 6c79A-5ctmA:
18.9		 6c79A-5ctmA:
14.77
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.
5cxw PENICILLIN-BINDING
PROTEIN 1A

(Mycobacterium
tuberculosis) 		PF00905
(Transpeptidase) 		5 SER A 398
ASN A 400
LYS A 539
GLY A 541
ASN A 551
 35P  A 702 (-2.9A)
35P  A 702 (-3.1A)
35P  A 702 (-3.3A)
35P  A 702 (-3.5A)
35P  A 702 (-4.5A)
 1.06A 6c79A-5cxwA:
18.1		 6c79A-5cxwA:
12.01
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) 		9 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
 0.53A 6c79A-5e2eA:
44.5		 6c79A-5e2eA:
48.24
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.
5e31 PENICILLIN BINDING
PROTEIN 2 PRIME

(Enterococcus
faecium) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF05223
(MecA_N) 		5 SER A 480
ASN A 482
THR A 603
LYS A 617
GLY A 619
 None
 0.70A 6c79A-5e31A:
16.7		 6c79A-5e31A:
9.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e43 BETA-LACTAMASE

(Streptosporangium
roseum) 		PF13354
(Beta-lactamase2) 		6 SER A 131
ASN A 133
ASN A 171
THR A 217
LYS A 235
GLY A 237
 ACT  A 311 (-3.0A)
None
None
ACT  A 311 ( 3.9A)
ACT  A 311 (-3.3A)
ACT  A 311 (-3.2A)
 0.25A 6c79A-5e43A:
42.6		 6c79A-5e43A:
22.29
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.
5eoe BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		8 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 (-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)
 0.52A 6c79A-5eoeA:
40.8		 6c79A-5eoeA:
17.50
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.
5f83 BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		5 SER A 125
ASN A 127
THR A 211
LYS A 229
GLY A 231
 IM2  A 301 (-2.7A)
IM2  A 301 (-3.2A)
IM2  A 301 (-4.1A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.3A)
 0.13A 6c79A-5f83A:
39.0		 6c79A-5f83A:
14.79
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) 		8 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
 0.52A 6c79A-5gl9A:
44.7		 6c79A-5gl9A:
48.28
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.
5hlb PENICILLIN-BINDING
PROTEIN 1B

(Escherichia
coli) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF14814
(UB2H) 		5 SER A 572
ASN A 574
THR A 682
LYS A 698
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 (-3.3A)
 0.47A 6c79A-5hlbA:
18.4		 6c79A-5hlbA:
8.53
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.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 ALA A 183
ASN A 381
GLY A 427
SER A 417
GLY A 418
 None
 1.11A 6c79A-5i8iA:
undetectable		 6c79A-5i8iA:
4.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iz4 PUTATIVE SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Paraburkholderia
xenovorans) 		PF13561
(adh_short_C2) 		5 ALA A 154
ASN A 120
SER A 152
GLY A 160
SER A 161
 None
 1.08A 6c79A-5iz4A:
undetectable		 6c79A-5iz4A:
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.
5kis RHS2

(Yersinia
entomophaga) 		no annotation 6 ALA B  84
ASN B 671
TYR B 673
ASN B 445
ASN B  67
GLY B  83
 None
 1.42A 6c79A-5kisB:
undetectable		 6c79A-5kisB:
6.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ll7 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 6 SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
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 ( 4.0A)
 0.66A 6c79A-5ll7A:
43.3		 6c79A-5ll7A:
33.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ll7 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 5 SER A 130
THR A 216
LYS A 234
GLY A 236
GLY A 239
 6YV  A 301 (-2.6A)
6YV  A 301 ( 4.2A)
6YV  A 301 (-3.6A)
6YV  A 301 ( 4.0A)
None
 0.92A 6c79A-5ll7A:
43.3		 6c79A-5ll7A:
33.75
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.
5m8j DIVALENT METAL
CATION TRANSPORTER
MNTH

(Eremococcus
coleocola) 		PF01566
(Nramp) 		5 ASN A  54
SER A  77
ASN A 280
GLY A  48
ASN A 237
 None
 1.11A 6c79A-5m8jA:
undetectable		 6c79A-5m8jA:
8.86
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.
5tfq BETA-LACTAMASE

(Bacteroides
cellulosilyticus) 		PF13354
(Beta-lactamase2) 		7 TYR A  85
SER A 112
ASN A 114
THR A 197
LYS A 215
GLY A 217
SER A 218
 None
PO4  A 301 (-2.6A)
None
PO4  A 301 ( 3.8A)
PO4  A 301 (-3.2A)
PO4  A 301 (-3.3A)
PO4  A 301 (-2.7A)
 0.34A 6c79A-5tfqA:
33.0		 6c79A-5tfqA:
15.36
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.
5u2g PENICILLIN-BINDING
PROTEIN 1A

(Haemophilus
influenzae) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		5 SER A 510
ASN A 512
THR A 712
LYS A 728
GLY A 730
 None
 0.53A 6c79A-5u2gA:
17.5		 6c79A-5u2gA:
7.37
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.
5u47 PENICILLIN BINDING
PROTEIN 2X

(Streptococcus
thermophilus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF03793
(PASTA) 		5 SER A 402
ASN A 404
THR A 532
LYS A 553
GLY A 555
 None
 0.29A 6c79A-5u47A:
17.0		 6c79A-5u47A:
9.43
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.
5ucy TUBULIN ALPHA CHAIN

(Tetrahymena
thermophila) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 ALA A 273
ASN A 216
ASN A 300
SER A 294
ASN A 293
 None
 0.94A 6c79A-5ucyA:
undetectable		 6c79A-5ucyA:
11.29
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.
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)
 0.72A 6c79A-5vpqA:
41.5		 6c79A-5vpqA:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.52A 6c79A-5x5gA:
34.6		 6c79A-5x5gA:
14.64
Potential target for repurposing, i.e. matched protein structure has less than 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 208
LYS A 222
GLY A 224
 CES  A 301 ( 3.7A)
CES  A 301 (-3.3A)
CES  A 301 (-4.3A)
None
CES  A 301 (-3.2A)
 0.33A 6c79A-5zqeA:
22.5		 6c79A-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 SER A 125
ASN A 127
THR A 217
LYS A 232
GLY A 234
 SEE  A  68 ( 1.4A)
SEE  A  68 ( 3.6A)
None
SEE  A  68 ( 3.5A)
SEE  A  68 ( 3.9A)
 0.30A 6c79A-6aziA:
21.7		 6c79A-6aziA:
15.22
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
GLY A 236
SER A 237
GLY A 238
 3GK  A 301 ( 3.2A)
3GK  A 302 ( 3.5A)
3GK  A 301 (-2.7A)
3GK  A 301 (-3.5A)
3GK  A 301 (-3.9A)
3GK  A 302 ( 4.3A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.4A)
3GK  A 301 ( 2.7A)
3GK  A 301 (-3.6A)
 0.31A 6c79A-6bu3A:
47.4		 6c79A-6bu3A:
80.00
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.
6fm7 BETA-LACTAMASE

(Aeromonas
enteropelogenes) 		no annotation 5 ASN A 150
LYS A 312
GLY A 314
SER A 315
ASN A 340
 NXL  A 401 (-3.5A)
NXL  A 401 (-3.6A)
NXL  A 401 (-3.3A)
NXL  A 401 (-3.4A)
SO4  A 403 (-4.0A)
 0.78A 6c79A-6fm7A:
15.4		 6c79A-6fm7A:
24.44