SIMILAR PATTERNS OF AMINO ACIDS FOR 3Q07_A_WPPA300

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1alq CP254 BETA-LACTAMASE

(Staphylococcus
aureus) 		PF13354
(Beta-lactamase2) 		6 LYS A  73
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
 None
 0.57A 3q07A-1alqA:
28.1		 3q07A-1alqA:
30.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bsg BETA LACTAMASE

(Streptomyces
albus) 		PF13354
(Beta-lactamase2) 		7 LYS A  73
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
GLY A 238
 None
 0.33A 3q07A-1bsgA:
43.1		 3q07A-1bsgA:
46.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bue PROTEIN
(IMIPENEM-HYDROLYSIN
G BETA-LACTAMASE)

(Enterobacter
cloacae) 		PF13354
(Beta-lactamase2) 		7 LYS A  73
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
SER A 237
 None
 0.91A 3q07A-1bueA:
41.0		 3q07A-1bueA:
48.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dy6 CARBAPENEM-HYDROLYSI
NG BETA-LACTAMASE
SME-1

(Serratia
marcescens) 		PF13354
(Beta-lactamase2) 		7 LYS A  73
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
SER A 237
 None
 0.91A 3q07A-1dy6A:
41.3		 3q07A-1dy6A:
47.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dy6 CARBAPENEM-HYDROLYSI
NG BETA-LACTAMASE
SME-1

(Serratia
marcescens) 		PF13354
(Beta-lactamase2) 		6 SER A 130
THR A 171
ASN A 170
LYS A 234
GLY A 236
SER A 237
 None
 1.50A 3q07A-1dy6A:
41.3		 3q07A-1dy6A:
47.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		5 LYS A  73
SER A 130
ASN A 132
LYS A 234
GLY A 236
 None
SO4  A 500 (-2.6A)
None
SO4  A 500 (-3.2A)
SO4  A 500 (-3.5A)
 0.36A 3q07A-1e25A:
32.8		 3q07A-1e25A:
28.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1g68 BETA-LACTAMASE PSE-4

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		6 LYS A  73
SER A 130
ASN A 132
ASN A 170
GLY A 236
GLY A 238
 SO4  A 400 ( 4.7A)
SO4  A 400 (-2.7A)
None
None
SO4  A 400 (-3.0A)
None
 0.56A 3q07A-1g68A:
39.6		 3q07A-1g68A:
39.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hzo BETA-LACTAMASE

(Proteus
vulgaris) 		PF13354
(Beta-lactamase2) 		7 LYS A  73
SER A 130
ASN A 132
ASN A 170
GLY A 236
SER A 237
GLY A 238
 None
MES  A1000 (-2.7A)
None
None
MES  A1000 (-3.1A)
MES  A1000 (-2.7A)
None
 0.74A 3q07A-1hzoA:
46.4		 3q07A-1hzoA:
65.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hzo BETA-LACTAMASE

(Proteus
vulgaris) 		PF13354
(Beta-lactamase2) 		8 LYS A  73
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
GLY A 238
ASP A 240
 None
MES  A1000 (-2.7A)
None
None
MES  A1000 (-2.9A)
MES  A1000 (-3.1A)
None
None
 0.56A 3q07A-1hzoA:
46.4		 3q07A-1hzoA:
65.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hzo BETA-LACTAMASE

(Proteus
vulgaris) 		PF13354
(Beta-lactamase2) 		6 LYS A  73
SER A 130
THR A 171
ASN A 170
LYS A 234
GLY A 236
 None
MES  A1000 (-2.7A)
None
None
MES  A1000 (-2.9A)
MES  A1000 (-3.1A)
 1.45A 3q07A-1hzoA:
46.4		 3q07A-1hzoA:
65.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1i2w BETA-LACTAMASE

(Bacillus
licheniformis) 		PF13354
(Beta-lactamase2) 		7 LYS A  73
ASN A 104
SER A 130
ASN A 132
LYS A 234
GLY A 236
GLY A 238
 CFX  A1300 (-2.6A)
CFX  A1300 (-3.9A)
CFX  A1300 (-3.1A)
CFX  A1300 (-3.0A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.3A)
CFX  A1300 ( 4.1A)
 0.39A 3q07A-1i2wA:
41.3		 3q07A-1i2wA:
42.35
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 LYS A  73
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
SER A 237
 SO4  A1002 ( 4.9A)
SO4  A1002 (-3.1A)
None
None
SO4  A1002 (-3.6A)
SO4  A1002 (-3.2A)
SO4  A1002 (-2.7A)
 0.53A 3q07A-1n4oA:
40.4		 3q07A-1n4oA:
46.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1n9b BETA-LACTAMASE SHV-2

(Klebsiella
pneumoniae) 		PF13354
(Beta-lactamase2) 		6 LYS A  73
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
 None
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.1A)
 0.54A 3q07A-1n9bA:
35.6		 3q07A-1n9bA:
39.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pio BETA-LACTAMASE

(Staphylococcus
aureus) 		PF13354
(Beta-lactamase2) 		6 LYS A  73
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
 None
 0.77A 3q07A-1pioA:
37.7		 3q07A-1pioA:
33.21
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.
1w5d PENICILLIN-BINDING
PROTEIN

(Bacillus
subtilis) 		PF02113
(Peptidase_S13) 		6 LYS A  55
SER A 299
ASN A 301
LYS A 411
GLY A 413
SER A 414
 None
 0.56A 3q07A-1w5dA:
21.0		 3q07A-1w5dA:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Streptococcus
pneumoniae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		6 LYS A  59
SER A 119
ASN A 121
LYS A 239
GLY A 241
ASP A 244
 None
SO4  A 464 (-3.4A)
None
SO4  A 464 (-3.5A)
SO4  A 464 ( 3.8A)
None
 0.80A 3q07A-1xp4A:
20.7		 3q07A-1xp4A:
22.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zg4 BETA-LACTAMASE TEM

(Escherichia
coli) 		PF13354
(Beta-lactamase2) 		7 LYS A  73
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
GLY A 238
 None
 0.32A 3q07A-1zg4A:
38.3		 3q07A-1zg4A:
38.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c6w PENICILLIN-BINDING
PROTEIN 1A

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		5 LYS B 373
SER B 428
ASN B 430
LYS B 557
GLY B 559
 None
CL  B 704 (-3.4A)
None
None
CL  B 704 ( 4.0A)
 0.63A 3q07A-2c6wB:
16.8		 3q07A-2c6wB:
23.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2cc1 BETA-LACTAMASE

(Mycolicibacterium
fortuitum) 		PF13354
(Beta-lactamase2) 		6 ASN A 105
ASN A 132
ASN A 170
SER A 237
GLY A 238
ASP A 240
 None
 1.44A 3q07A-2cc1A:
40.8		 3q07A-2cc1A:
44.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2cc1 BETA-LACTAMASE

(Mycolicibacterium
fortuitum) 		PF13354
(Beta-lactamase2) 		9 LYS A  73
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
SER A 237
GLY A 238
ASP A 240
 None
 0.42A 3q07A-2cc1A:
40.8		 3q07A-2cc1A:
44.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2cc1 BETA-LACTAMASE

(Mycolicibacterium
fortuitum) 		PF13354
(Beta-lactamase2) 		6 SER A 130
ASN A 105
GLY A 236
SER A 237
GLY A 238
ASP A 240
 None
 1.29A 3q07A-2cc1A:
40.8		 3q07A-2cc1A:
44.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2exa PENICILLIN-BINDING
PROTEIN 4

(Escherichia
coli) 		PF02113
(Peptidase_S13) 		5 LYS A  65
SER A 306
ASN A 308
LYS A 417
GLY A 419
 DGF  A 501 ( 4.0A)
DGF  A 501 (-3.3A)
DGF  A 501 (-3.0A)
None
DGF  A 501 (-3.4A)
 0.42A 3q07A-2exaA:
17.1		 3q07A-2exaA:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fff PENICILLIN-BINDING
PROTEIN 1B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		5 LYS B 463
SER B 516
ASN B 518
LYS B 651
GLY B 653
 None
 0.40A 3q07A-2fffB:
17.0		 3q07A-2fffB:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN

(Staphylococcus
aureus) 		PF00905
(Transpeptidase) 		6 LYS A 394
SER A 439
ASN A 441
LYS A 528
GLY A 530
GLY A 532
 GOL  A 605 ( 3.9A)
GOL  A 604 (-2.6A)
GOL  A 605 (-2.8A)
GOL  A 604 (-2.9A)
GOL  A 605 ( 3.2A)
None
 0.46A 3q07A-2iwbA:
19.1		 3q07A-2iwbA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j7v TLL2115 PROTEIN

(Synechococcus
elongatus) 		PF13354
(Beta-lactamase2) 		5 LYS A  64
SER A 122
ASN A 124
LYS A 219
GLY A 221
 None
 0.35A 3q07A-2j7vA:
33.6		 3q07A-2j7vA:
26.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v2f PENICILLIN BINDING
PROTEIN 1A

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		5 LYS F 373
SER F 428
ASN F 430
LYS F 557
GLY F 559
 None
MES  F1653 (-3.1A)
None
MES  F1653 ( 4.0A)
MES  F1653 (-3.6A)
 0.61A 3q07A-2v2fF:
17.6		 3q07A-2v2fF:
24.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wae PENICILLIN-BINDING
PROTEIN 2B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 LYS A 389
SER A 443
ASN A 445
LYS A 615
GLY A 617
 None
 0.48A 3q07A-2waeA:
16.0		 3q07A-2waeA:
17.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wyx BETA-LACTAMSE TOHO-1

(Escherichia
coli) 		PF13354
(Beta-lactamase2) 		7 GLY A 236
ASN A 104
SER A 130
ASN A 170
LYS A 234
GLY A 238
ASP A 240
 None
 1.45A 3q07A-2wyxA:
45.7		 3q07A-2wyxA:
83.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wyx BETA-LACTAMSE TOHO-1

(Escherichia
coli) 		PF13354
(Beta-lactamase2) 		11 LYS A  73
ASN A 104
SER A 130
ASN A 132
THR A 168
ASN A 170
LYS A 234
GLY A 236
SER A 237
GLY A 238
ASP A 240
 None
 0.54A 3q07A-2wyxA:
45.7		 3q07A-2wyxA:
83.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xfs ORF12

(Streptomyces
clavuligerus) 		PF13354
(Beta-lactamase2) 		6 LYS A 176
SER A 234
ASN A 236
LYS A 375
GLY A 377
SER A 378
 None
J01  A 600 (-3.4A)
None
J01  A 600 ( 4.4A)
J01  A 600 ( 3.8A)
J01  A 600 (-3.4A)
 0.55A 3q07A-2xfsA:
22.7		 3q07A-2xfsA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z2m PENICILLIN-BINDING
PROTEIN 2X

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		5 LYS B 340
SER B 395
ASN B 397
LYS B 547
GLY B 549
 CDS  B 901 ( 4.2A)
CDS  B 901 ( 3.2A)
CDS  B 901 ( 3.0A)
CDS  B 901 ( 3.9A)
CDS  B 901 ( 3.4A)
 0.32A 3q07A-2z2mB:
16.6		 3q07A-2z2mB:
24.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a3i PENICILLIN-BINDING
PROTEIN 4

(Haemophilus
influenzae) 		PF02113
(Peptidase_S13) 		5 LYS A  72
SER A 310
ASN A 312
LYS A 420
GLY A 422
 AIX  A 501 ( 4.0A)
AIX  A 501 (-2.8A)
AIX  A 501 (-3.3A)
AIX  A 501 ( 3.8A)
AIX  A 501 (-3.4A)
 0.30A 3q07A-3a3iA:
20.7		 3q07A-3a3iA:
21.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bfg CLASS A
BETA-LACTAMASE SED1

(Citrobacter
sedlakii) 		PF13354
(Beta-lactamase2) 		8 LYS A  73
ASN A 104
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
ASP A 240
 MER  A 301 ( 3.8A)
MER  A 301 ( 4.1A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.0A)
None
 0.53A 3q07A-3bfgA:
46.5		 3q07A-3bfgA:
74.90
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 LYS A  73
SER A 130
THR A 171
ASN A 170
LYS A 234
GLY A 236
 MER  A 301 ( 3.8A)
MER  A 301 (-2.6A)
None
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.0A)
 1.44A 3q07A-3bfgA:
46.5		 3q07A-3bfgA:
74.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3byd BETA-LACTAMASE OXY-1

(Klebsiella
oxytoca) 		PF13354
(Beta-lactamase2) 		6 GLY A 239
SER A 133
ASN A 173
LYS A 237
GLY A 241
ASP A 242
 SO4  A 301 (-3.3A)
SO4  A 301 (-2.8A)
None
SO4  A 301 (-3.1A)
None
None
 1.50A 3q07A-3bydA:
47.1		 3q07A-3bydA:
74.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3byd BETA-LACTAMASE OXY-1

(Klebsiella
oxytoca) 		PF13354
(Beta-lactamase2) 		8 LYS A  76
SER A 133
ASN A 135
ASN A 173
LYS A 237
GLY A 239
GLY A 241
ASP A 242
 SO4  A 301 ( 4.9A)
SO4  A 301 (-2.8A)
None
None
SO4  A 301 (-3.1A)
SO4  A 301 (-3.3A)
None
None
 0.30A 3q07A-3bydA:
47.1		 3q07A-3bydA:
74.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cjm PUTATIVE
BETA-LACTAMASE

(Enterococcus
faecalis) 		PF13354
(Beta-lactamase2) 		6 LYS A 111
SER A 169
ASN A 171
GLY A 259
SER A 260
ASP A 262
 NO3  A   1 (-3.5A)
None
NO3  A   1 ( 4.7A)
None
EDO  A   7 ( 4.0A)
None
 0.74A 3q07A-3cjmA:
27.4		 3q07A-3cjmA:
23.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cjm PUTATIVE
BETA-LACTAMASE

(Enterococcus
faecalis) 		PF13354
(Beta-lactamase2) 		6 LYS A 111
SER A 169
ASN A 171
LYS A 257
GLY A 259
ASP A 262
 NO3  A   1 (-3.5A)
None
NO3  A   1 ( 4.7A)
None
None
None
 0.54A 3q07A-3cjmA:
27.4		 3q07A-3cjmA:
23.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dwk PENICILLIN-BINDING
PROTEIN 2

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		6 LYS A 401
SER A 454
ASN A 456
LYS A 583
GLY A 585
GLY A 587
 SO4  A  26 ( 4.8A)
SO4  A  26 (-3.1A)
None
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.3A)
None
 0.54A 3q07A-3dwkA:
17.7		 3q07A-3dwkA:
19.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dwz BETA-LACTAMASE

(Mycobacterium
tuberculosis) 		PF13354
(Beta-lactamase2) 		7 LYS A  87
SER A 142
ASN A 186
LYS A 250
GLY A 252
GLY A 254
ASP A 255
 DWZ  A 400 (-2.6A)
DWZ  A 400 (-2.7A)
DWZ  A 400 ( 4.0A)
DWZ  A 400 ( 3.8A)
DWZ  A 400 (-3.3A)
None
None
 0.51A 3q07A-3dwzA:
41.3		 3q07A-3dwzA:
44.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hum PENICILLIN-BINDING
PROTEIN 4

(Staphylococcus
aureus) 		PF00768
(Peptidase_S11)
PF09211
(DUF1958) 		6 LYS A  78
ASN A 141
LYS A 259
GLY A 261
SER A 262
ASP A 264
 None
None
CEW  A 501 ( 4.4A)
CEW  A 501 (-3.1A)
CEW  A 501 (-2.9A)
None
 1.01A 3q07A-3humA:
22.4		 3q07A-3humA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hum PENICILLIN-BINDING
PROTEIN 4

(Staphylococcus
aureus) 		PF00768
(Peptidase_S11)
PF09211
(DUF1958) 		6 SER A 139
ASN A 141
LYS A 259
GLY A 261
SER A 262
ASP A 264
 CEW  A 501 (-3.4A)
None
CEW  A 501 ( 4.4A)
CEW  A 501 (-3.1A)
CEW  A 501 (-2.9A)
None
 1.00A 3q07A-3humA:
22.4		 3q07A-3humA:
22.05
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) 		6 LYS A  88
ASN A 145
ASN A 183
LYS A 247
GLY A 249
GLY A 251
 None
None
None
EPE  A 305 (-3.1A)
EPE  A 305 (-3.4A)
None
 0.36A 3q07A-3lezA:
41.7		 3q07A-3lezA:
43.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lez BETA-LACTAMASE

(Oceanobacillus
iheyensis) 		PF13354
(Beta-lactamase2) 		6 SER A 143
ASN A 145
ASN A 183
LYS A 247
GLY A 249
GLY A 251
 EPE  A 305 (-2.5A)
None
None
EPE  A 305 (-3.1A)
EPE  A 305 (-3.4A)
None
 0.58A 3q07A-3lezA:
41.7		 3q07A-3lezA:
43.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mfd D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACB

(Bacillus
subtilis) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		5 LYS A  63
SER A 115
ASN A 117
LYS A 220
GLY A 222
 CIT  A   1 ( 4.4A)
CIT  A   1 (-2.8A)
None
CIT  A   1 ( 3.7A)
CIT  A   1 (-3.3A)
 0.36A 3q07A-3mfdA:
22.3		 3q07A-3mfdA:
23.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3p09 BETA-LACTAMASE

(Francisella
tularensis) 		PF13354
(Beta-lactamase2) 		5 LYS A  64
SER A 122
ASN A 162
LYS A 226
GLY A 228
 None
SO4  A 288 (-2.7A)
None
SO4  A 288 (-3.5A)
SO4  A 288 (-3.3A)
 0.44A 3q07A-3p09A:
39.5		 3q07A-3p09A:
30.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q7z BETA-LACTAMASE
REGULATORY PROTEIN
BLAR1

(Staphylococcus
aureus) 		PF00905
(Transpeptidase) 		6 LYS A 392
SER A 437
ASN A 439
LYS A 526
GLY A 528
GLY A 530
 BOU  A 584 ( 3.9A)
BOU  A 584 (-2.8A)
BOU  A 584 (-3.5A)
BOU  A 584 (-3.3A)
BOU  A 584 (-3.7A)
BOU  A 584 ( 3.9A)
 0.34A 3q07A-3q7zA:
18.0		 3q07A-3q7zA:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3qhy BETA-LACTAMASE

(Bacillus
anthracis) 		PF13354
(Beta-lactamase2) 		7 LYS A  73
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
GLY A 238
 None
 0.37A 3q07A-3qhyA:
41.9		 3q07A-3qhyA:
43.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rju BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE

(Yersinia pestis) 		PF00144
(Beta-lactamase) 		5 LYS A  62
ASN A 158
LYS A 299
GLY A 301
GLY A 303
 CIT  A 391 ( 4.4A)
CIT  A 391 ( 4.7A)
CIT  A 391 ( 4.4A)
CIT  A 391 (-3.3A)
None
 0.52A 3q07A-3rjuA:
15.2		 3q07A-3rjuA:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ue3 SEPTUM FORMATION,
PENICILLIN BINDING
PROTEIN 3,
PEPTIDOGLYCAN
SYNTHETASE

(Acinetobacter
sp. ATCC 27244) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 LYS A 339
SER A 390
ASN A 392
LYS A 525
GLY A 527
 None
 0.54A 3q07A-3ue3A:
17.2		 3q07A-3ue3A:
19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3upn PENICILLIN-BINDING
PROTEIN A

(Mycobacterium
tuberculosis) 		PF00905
(Transpeptidase) 		5 LYS A 225
SER A 281
ASN A 283
LYS A 424
GLY A 426
 IM2  A 800 ( 4.5A)
IM2  A 800 (-3.0A)
IM2  A 800 (-3.3A)
IM2  A 800 ( 3.9A)
IM2  A 800 (-3.4A)
 0.46A 3q07A-3upnA:
18.1		 3q07A-3upnA:
23.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v39 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Bdellovibrio
bacteriovorus) 		PF02113
(Peptidase_S13) 		6 LYS A  73
SER A 251
ASN A 253
LYS A 357
GLY A 359
SER A 360
 TAU  A 501 ( 3.7A)
TAU  A 501 (-2.6A)
TAU  A 501 (-3.1A)
TAU  A 501 ( 4.3A)
TAU  A 501 (-3.5A)
None
 0.50A 3q07A-3v39A:
17.4		 3q07A-3v39A:
20.96
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 GLY A 236
SER A 130
ASN A 170
LYS A 234
GLY A 238
ASP A 240
 None
 1.49A 3q07A-3w4qA:
44.1		 3q07A-3w4qA:
57.41
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) 		8 LYS A  73
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
GLY A 238
ASP A 240
 None
 0.40A 3q07A-3w4qA:
44.1		 3q07A-3w4qA:
57.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zdj ENCA BETA-LACTAMASE

(synthetic
construct) 		PF13354
(Beta-lactamase2) 		7 LYS A  73
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
 0.37A 3q07A-3zdjA:
38.8		 3q07A-3zdjA:
43.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zg8 PENICILLIN-BINDING
PROTEIN 4

(Listeria
monocytogenes) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		6 LYS B 397
SER B 449
ASN B 451
LYS B 575
GLY B 577
SER B 578
 AIX  B 800 ( 3.1A)
AIX  B 800 (-2.4A)
AIX  B 800 (-2.7A)
AIX  B 800 ( 4.0A)
AIX  B 800 ( 3.7A)
AIX  B 800 (-3.0A)
 0.63A 3q07A-3zg8B:
17.3		 3q07A-3zg8B:
19.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zny CTX-M-12A ENZYME

(Klebsiella
pneumoniae) 		PF13354
(Beta-lactamase2) 		9 LYS A  73
SER A 130
ASN A 132
THR A 168
ASN A 170
LYS A 234
GLY A 236
SER A 237
GLY A 238
 None
 0.36A 3q07A-3znyA:
47.4		 3q07A-3znyA:
81.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp. R39) 		PF02113
(Peptidase_S13) 		5 LYS A  52
SER A 298
ASN A 300
LYS A 410
GLY A 412
 B07  A 500 (-3.4A)
B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 (-1.6A)
B07  A 500 (-3.2A)
 0.38A 3q07A-3zvtA:
20.7		 3q07A-3zvtA:
22.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c6y BETA-LACTAMASE

(synthetic
construct) 		PF13354
(Beta-lactamase2) 		7 LYS A  73
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
GLY A 238
 PEG  A 307 ( 3.6A)
PEG  A 307 (-2.4A)
PEG  A 307 (-3.1A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-2.7A)
None
 0.30A 3q07A-4c6yA:
43.4		 3q07A-4c6yA:
58.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c75 BETA-LACTAMASE

(synthetic
construct) 		PF13354
(Beta-lactamase2) 		7 LYS A  73
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
GLY A 238
 SO4  A 291 ( 4.6A)
SO4  A 291 (-2.8A)
None
None
SO4  A 291 (-3.4A)
NA  A 294 ( 3.2A)
None
 0.27A 3q07A-4c75A:
42.7		 3q07A-4c75A:
56.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4d2o PER-2 BETA-LACTAMASE

(Citrobacter
freundii) 		PF13354
(Beta-lactamase2) 		5 LYS A  73
SER A 130
ASN A 132
LYS A 234
GLY A 236
 None
 0.57A 3q07A-4d2oA:
32.5		 3q07A-4d2oA:
31.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1

(Serratia
fonticola) 		PF13354
(Beta-lactamase2) 		6 LYS A  73
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
 MER  A 401 ( 4.4A)
MER  A 401 (-2.8A)
MER  A 401 (-3.2A)
MER  A 401 (-2.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.6A)
 0.44A 3q07A-4ev4A:
42.2		 3q07A-4ev4A:
48.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ewf BETA-LACTAMASE

(Sphaerobacter
thermophilus) 		PF13354
(Beta-lactamase2) 		5 LYS A  52
SER A 110
ASN A 112
LYS A 213
GLY A 215
 None
SO4  A 301 (-3.1A)
None
SO4  A 301 (-3.0A)
SO4  A 301 (-3.5A)
 0.38A 3q07A-4ewfA:
32.0		 3q07A-4ewfA:
27.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fsf PENICILLIN-BINDING
PROTEIN 3

(Pseudomonas
aeruginosa) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 LYS A 297
SER A 349
ASN A 351
LYS A 484
GLY A 486
 0W0  A 601 ( 4.2A)
0W0  A 601 (-3.1A)
0W0  A 601 (-3.1A)
0W0  A 601 (-3.0A)
0W0  A 601 (-3.4A)
 0.51A 3q07A-4fsfA:
17.4		 3q07A-4fsfA:
19.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hes BETA-LACTAMASE CLASS
A-LIKE PROTEIN

(Veillonella
parvula) 		PF13354
(Beta-lactamase2) 		6 LYS A  59
SER A 117
ASN A 119
LYS A 217
GLY A 219
SER A 220
 GOL  A 301 ( 4.2A)
GOL  A 301 (-2.7A)
None
GOL  A 301 ( 4.6A)
GOL  A 301 (-3.5A)
GOL  A 301 (-4.8A)
 0.31A 3q07A-4hesA:
29.5		 3q07A-4hesA:
25.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mnr PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Eggerthella
lenta) 		PF00905
(Transpeptidase) 		5 LYS A 185
SER A 237
ASN A 239
LYS A 397
GLY A 399
 None
 0.32A 3q07A-4mnrA:
17.3		 3q07A-4mnrA:
23.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ovd PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Atopobium
parvulum) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		6 LYS A 308
SER A 361
ASN A 363
LYS A 500
GLY A 502
GLY A 504
 None
CA  A 601 ( 3.8A)
None
CA  A 601 ( 4.1A)
CA  A 601 ( 4.2A)
None
 0.81A 3q07A-4ovdA:
17.1		 3q07A-4ovdA:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ppr PENICILLIN-BINDING
PROTEIN DACB1

(Mycobacterium
tuberculosis) 		PF00768
(Peptidase_S11) 		5 LYS A 124
SER A 176
ASN A 178
LYS A 282
GLY A 284
 MER  A 400 ( 4.1A)
MER  A 400 (-2.5A)
MER  A 400 (-3.0A)
MER  A 400 (-3.0A)
MER  A 400 (-3.1A)
 0.43A 3q07A-4pprA:
20.0		 3q07A-4pprA:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ra7 PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Atopobium
parvulum) 		PF00905
(Transpeptidase) 		6 LYS A 685
SER A 737
ASN A 739
LYS A 890
GLY A 892
ASP A 895
 NXU  A1001 ( 4.2A)
NXU  A1001 (-3.2A)
NXU  A1001 (-3.5A)
NXU  A1001 (-3.5A)
NXU  A1001 (-3.4A)
NXU  A1001 (-3.1A)
 0.58A 3q07A-4ra7A:
16.6		 3q07A-4ra7A:
22.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Mycobacterium
tuberculosis) 		PF00768
(Peptidase_S11) 		5 LYS A  72
SER A 124
ASN A 126
LYS A 230
GLY A 232
 None
 0.34A 3q07A-4ryeA:
21.8		 3q07A-4ryeA:
25.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yfm BETA-LACTAMASE

(Mycobacteroides
abscessus) 		PF13354
(Beta-lactamase2) 		7 LYS A  74
SER A 131
ASN A 133
ASN A 171
LYS A 233
GLY A 235
GLY A 237
 ACT  A 301 ( 4.8A)
ACT  A 301 (-2.9A)
None
None
ACT  A 301 (-3.4A)
ACT  A 301 (-3.3A)
None
 0.34A 3q07A-4yfmA:
41.9		 3q07A-4yfmA:
43.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aqa OFF7_DB04V3

(synthetic
construct) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13354
(Beta-lactamase2) 		7 LYS A 203
SER A 260
ASN A 262
ASN A 300
LYS A 364
GLY A 366
GLY A 368
 None
 0.39A 3q07A-5aqaA:
37.5		 3q07A-5aqaA:
26.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cer BD0816

(Bdellovibrio
bacteriovorus) 		PF02113
(Peptidase_S13) 		5 LYS A  61
SER A 239
ASN A 241
LYS A 345
GLY A 347
 None
 0.29A 3q07A-5cerA:
18.0		 3q07A-5cerA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cxw PENICILLIN-BINDING
PROTEIN 1A

(Mycobacterium
tuberculosis) 		PF00905
(Transpeptidase) 		5 LYS A 348
SER A 398
ASN A 400
LYS A 539
GLY A 541
 35P  A 702 ( 4.2A)
35P  A 702 (-2.9A)
35P  A 702 (-3.1A)
35P  A 702 (-3.3A)
35P  A 702 (-3.5A)
 0.43A 3q07A-5cxwA:
18.1		 3q07A-5cxwA:
23.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e2e BETA-LACTAMASE

(Yersinia
enterocolitica) 		PF13354
(Beta-lactamase2) 		6 GLY A 213
SER A 107
ASN A 147
LYS A 211
GLY A 215
ASP A 216
 None
 1.48A 3q07A-5e2eA:
44.3		 3q07A-5e2eA:
58.21
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 LYS A  50
SER A 107
ASN A 109
ASN A 147
LYS A 211
GLY A 213
SER A 214
GLY A 215
ASP A 216
 None
 0.50A 3q07A-5e2eA:
44.3		 3q07A-5e2eA:
58.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e2h BETA-LACTAMASE

(Mycolicibacterium
smegmatis) 		PF00144
(Beta-lactamase) 		6 LYS A  61
ASN A 146
LYS A 307
GLY A 309
SER A 310
ASP A 312
 None
CL  A 402 ( 4.8A)
None
None
None
None
 0.94A 3q07A-5e2hA:
15.9		 3q07A-5e2hA:
23.08
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) 		6 LYS A  73
SER A 131
ASN A 133
ASN A 171
LYS A 235
GLY A 237
 None
ACT  A 311 (-3.0A)
None
None
ACT  A 311 (-3.3A)
ACT  A 311 (-3.2A)
 0.27A 3q07A-5e43A:
42.8		 3q07A-5e43A:
41.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eoe BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		8 LYS A  65
SER A 123
ASN A 125
THR A 161
ASN A 163
LYS A 227
GLY A 229
SER A 230
 CIT  A 303 (-3.6A)
CIT  A 303 (-2.5A)
CIT  A 303 (-3.2A)
None
None
CIT  A 303 (-3.5A)
CIT  A 303 (-3.5A)
CIT  A 303 (-2.5A)
 0.43A 3q07A-5eoeA:
40.7		 3q07A-5eoeA:
41.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5f83 BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		6 LYS A  67
SER A 125
ASN A 127
LYS A 229
GLY A 231
ASP A 166
 IM2  A 301 ( 3.9A)
IM2  A 301 (-2.7A)
IM2  A 301 (-3.2A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.3A)
None
 1.12A 3q07A-5f83A:
39.4		 3q07A-5f83A:
37.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5gl9 BETA-LACTAMASE

(Burkholderia
thailandensis) 		PF13354
(Beta-lactamase2) 		6 GLY A 236
SER A 130
ASN A 170
LYS A 234
GLY A 238
ASP A 240
 None
 1.48A 3q07A-5gl9A:
45.0		 3q07A-5gl9A:
57.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5gl9 BETA-LACTAMASE

(Burkholderia
thailandensis) 		PF13354
(Beta-lactamase2) 		8 LYS A  73
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
GLY A 238
ASP A 240
 None
 0.33A 3q07A-5gl9A:
45.0		 3q07A-5gl9A:
57.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hlb PENICILLIN-BINDING
PROTEIN 1B

(Escherichia
coli) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF14814
(UB2H) 		5 LYS A 513
SER A 572
ASN A 574
LYS A 698
GLY A 700
 AZR  A 902 ( 4.0A)
AZR  A 902 ( 3.7A)
AZR  A 902 (-3.4A)
AZR  A 902 ( 4.5A)
AZR  A 902 (-3.3A)
 0.52A 3q07A-5hlbA:
18.3		 3q07A-5hlbA:
17.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hx9 BETA-LACTAMASE

(Burkholderia
vietnamiensis) 		PF13354
(Beta-lactamase2) 		5 GLY A  70
ASN A 170
LYS A 234
GLY A 236
GLY A 238
 EDO  A 303 (-3.6A)
None
EDO  A 303 (-2.6A)
None
None
 0.28A 3q07A-5hx9A:
41.8		 3q07A-5hx9A:
46.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ihv BETA-LACTAMASE

(Burkholderia
ambifaria) 		PF13354
(Beta-lactamase2) 		5 GLY A  47
ASN A 147
LYS A 211
GLY A 213
GLY A 215
 EDO  A 302 (-3.6A)
None
EDO  A 302 (-2.8A)
None
None
 0.30A 3q07A-5ihvA:
42.1		 3q07A-5ihvA:
49.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ll7 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 6 LYS A  73
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
 6YV  A 301 ( 3.8A)
6YV  A 301 (-2.6A)
6YV  A 301 (-3.7A)
6YV  A 301 (-2.9A)
6YV  A 301 (-3.6A)
6YV  A 301 ( 4.0A)
 0.62A 3q07A-5ll7A:
42.8		 3q07A-5ll7A:
16.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tfq BETA-LACTAMASE

(Bacteroides
cellulosilyticus) 		PF13354
(Beta-lactamase2) 		6 LYS A  51
SER A 112
ASN A 114
LYS A 215
GLY A 217
SER A 218
 None
PO4  A 301 (-2.6A)
None
PO4  A 301 (-3.2A)
PO4  A 301 (-3.3A)
PO4  A 301 (-2.7A)
 0.54A 3q07A-5tfqA:
33.0		 3q07A-5tfqA:
26.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tr7 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Vibrio cholerae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		5 LYS A  69
SER A 129
ASN A 131
LYS A 232
GLY A 234
 None
 0.62A 3q07A-5tr7A:
22.1		 3q07A-5tr7A:
23.40
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.
5tro PENICILLIN-BINDING
PROTEIN 1

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 LYS A 317
SER A 368
ASN A 370
LYS A 513
GLY A 515
 None
 0.36A 3q07A-5troA:
17.2		 3q07A-5troA:
18.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ty7 PENICILLIN-BINDING
PROTEIN 4

(Staphylococcus
aureus) 		no annotation 6 LYS A  78
SER A 139
LYS A 259
GLY A 261
SER A 262
ASP A 264
 NFF  A 401 ( 4.4A)
NFF  A 401 (-3.4A)
NFF  A 401 ( 4.8A)
NFF  A 401 (-3.7A)
NFF  A 401 (-2.1A)
NFF  A 401 ( 4.3A)
 0.75A 3q07A-5ty7A:
20.6		 3q07A-5ty7A:
17.21
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.
5u2g PENICILLIN-BINDING
PROTEIN 1A

(Haemophilus
influenzae) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		5 LYS A 455
SER A 510
ASN A 512
LYS A 728
GLY A 730
 None
 0.48A 3q07A-5u2gA:
17.4		 3q07A-5u2gA:
15.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u47 PENICILLIN BINDING
PROTEIN 2X

(Streptococcus
thermophilus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF03793
(PASTA) 		5 LYS A 346
SER A 402
ASN A 404
LYS A 553
GLY A 555
 None
 0.29A 3q07A-5u47A:
17.0		 3q07A-5u47A:
17.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vpq BETA-LACTAMASE

(Paraburkholderia
phymatum) 		PF13354
(Beta-lactamase2) 		6 ASN A 121
ASN A 159
GLY A 227
SER A 228
GLY A 229
ASP A 230
 None
None
None
EDO  A 304 ( 4.8A)
EDO  A 304 (-3.4A)
EDO  A 304 (-3.7A)
 0.78A 3q07A-5vpqA:
41.6		 3q07A-5vpqA:
48.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vpq BETA-LACTAMASE

(Paraburkholderia
phymatum) 		PF13354
(Beta-lactamase2) 		6 GLY A 227
SER A 119
ASN A 121
ASN A 159
GLY A 229
ASP A 230
 None
None
None
None
EDO  A 304 (-3.4A)
EDO  A 304 (-3.7A)
 1.03A 3q07A-5vpqA:
41.6		 3q07A-5vpqA:
48.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vpq BETA-LACTAMASE

(Paraburkholderia
phymatum) 		PF13354
(Beta-lactamase2) 		6 SER A 119
ASN A 121
ASN A 159
GLY A 227
GLY A 229
ASP A 230
 None
None
None
None
EDO  A 304 (-3.4A)
EDO  A 304 (-3.7A)
 0.53A 3q07A-5vpqA:
41.6		 3q07A-5vpqA:
48.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x5g BETA-LACTAMASE

(Serratia
marcescens) 		PF13354
(Beta-lactamase2) 		6 LYS A  59
SER A 120
ASN A 122
LYS A 224
GLY A 226
SER A 227
 OP0  A 305 (-3.6A)
OP0  A 305 (-2.7A)
OP0  A 305 (-3.1A)
OP0  A 305 (-3.4A)
OP0  A 305 (-3.2A)
OP0  A 305 (-2.4A)
 0.64A 3q07A-5x5gA:
34.6		 3q07A-5x5gA:
25.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zqe -

(-) 		no annotation 6 LYS A  61
SER A 118
ASN A 120
LYS A 222
GLY A 224
ASP A 227
 CES  A 301 ( 4.1A)
CES  A 301 ( 3.7A)
CES  A 301 (-3.3A)
None
CES  A 301 (-3.2A)
None
 0.68A 3q07A-5zqeA:
22.1		 3q07A-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 LYS A  71
SER A 125
ASN A 127
LYS A 232
GLY A 234
 SEE  A  68 ( 2.8A)
SEE  A  68 ( 1.4A)
SEE  A  68 ( 3.6A)
SEE  A  68 ( 3.5A)
SEE  A  68 ( 3.9A)
 0.53A 3q07A-6aziA:
21.5		 3q07A-6aziA:
27.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6bu3 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 10 LYS A  73
ASN A 104
SER A 130
ASN A 132
THR A 168
ASN A 170
LYS A 234
GLY A 236
SER A 237
GLY A 238
 3GK  A 301 ( 4.0A)
3GK  A 301 ( 3.2A)
3GK  A 301 (-2.7A)
3GK  A 301 (-3.5A)
None
3GK  A 301 (-3.9A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.4A)
3GK  A 301 ( 2.7A)
3GK  A 301 (-3.6A)
 0.37A 3q07A-6bu3A:
49.3		 3q07A-6bu3A:
97.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fm7 BETA-LACTAMASE

(Aeromonas
enteropelogenes) 		no annotation 5 LYS A  65
ASN A 150
LYS A 312
GLY A 314
SER A 315
 NXL  A 401 ( 3.9A)
NXL  A 401 (-3.5A)
NXL  A 401 (-3.6A)
NXL  A 401 (-3.3A)
NXL  A 401 (-3.4A)
 0.55A 3q07A-6fm7A:
15.3		 3q07A-6fm7A:
15.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bf2 ISOAMYLASE

(Pseudomonas
amyloderamosa) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		4 TYR A 685
PRO A 648
THR A 693
THR A 711
 None
 1.45A 3q07A-1bf2A:
undetectable		 3q07A-1bf2A:
16.71
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.
1buy PROTEIN
(ERYTHROPOIETIN)

(Homo sapiens) 		PF00758
(EPO_TPO) 		4 TYR A 145
PRO A  42
THR A  40
THR A  26
 None
 1.36A 3q07A-1buyA:
undetectable		 3q07A-1buyA:
22.14
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.
1cg2 CARBOXYPEPTIDASE G2

(Pseudomonas sp.
RS-16) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 TYR A 391
PRO A 137
THR A 115
THR A 202
 None
 1.39A 3q07A-1cg2A:
undetectable		 3q07A-1cg2A:
23.25
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) 		4 TYR A 105
PRO A 167
THR A 171
THR A 235
 MES  A1000 (-3.9A)
None
None
MES  A1000 (-3.7A)
 0.39A 3q07A-1hzoA:
46.4		 3q07A-1hzoA:
65.54
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.
1j9m DD-TRANSPEPTIDASE

(Streptomyces
sp. K15) 		PF00768
(Peptidase_S11) 		4 TYR A 151
PRO A 154
THR A 158
THR A 130
 None
 1.37A 3q07A-1j9mA:
21.9		 3q07A-1j9mA:
28.09
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.
1jft PURINE NUCLEOTIDE
SYNTHESIS REPRESSOR

(Escherichia
coli) 		PF00356
(LacI)
PF13377
(Peripla_BP_3) 		4 CYH A 245
TYR A  73
PRO A 187
THR A 289
 None
HPA  A 599 (-3.2A)
None
None
 1.21A 3q07A-1jftA:
undetectable		 3q07A-1jftA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x4g NUCLEOLYSIN TIAR

(Homo sapiens) 		PF00076
(RRM_1) 		4 CYH A  93
TYR A  63
THR A  84
THR A  27
 None
 1.41A 3q07A-1x4gA:
undetectable		 3q07A-1x4gA:
17.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a0u INITIATION FACTOR 2B

(Leishmania
major) 		PF01008
(IF-2B) 		4 TYR A 149
PRO A  64
THR A 187
THR A  17
 None
 1.45A 3q07A-2a0uA:
undetectable		 3q07A-2a0uA:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fez PROBABLE REGULATORY
PROTEIN EMBR

(Mycobacterium
tuberculosis) 		PF00486
(Trans_reg_C)
PF00498
(FHA)
PF03704
(BTAD) 		4 TYR A 203
PRO A 206
THR A 246
THR A 233
 None
 1.06A 3q07A-2fezA:
undetectable		 3q07A-2fezA:
23.33
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.
2ji9 OXALYL-COA
DECARBOXYLASE

(Oxalobacter
formigenes) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 CYH A 435
TYR A 468
PRO A 471
THR A 473
 None
 1.33A 3q07A-2ji9A:
undetectable		 3q07A-2ji9A:
18.30
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.
2nbi HEP200 PROTEIN

(Cylindrotheca
fusiformis) 		no annotation 4 TYR A 117
PRO A 169
THR A 174
THR A 151
 None
 1.45A 3q07A-2nbiA:
undetectable		 3q07A-2nbiA:
19.61
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.
2p50 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Escherichia
coli) 		PF01979
(Amidohydro_1) 		4 CYH A  63
PRO A  97
THR A  79
THR A 312
 None
 1.40A 3q07A-2p50A:
undetectable		 3q07A-2p50A:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qdx FERREDOXIN REDUCTASE

(Pseudomonas
aeruginosa) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		4 TYR A  53
PRO A 121
THR A  34
THR A  24
 FAD  A 400 (-3.9A)
None
None
None
 0.96A 3q07A-2qdxA:
undetectable		 3q07A-2qdxA:
19.43
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.
2uuu ALKYLDIHYDROXYACETON
EPHOSPHATE SYNTHASE

(Dictyostelium
discoideum) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		4 CYH A 581
PRO A 577
THR A 274
THR A 189
 None
 1.47A 3q07A-2uuuA:
undetectable		 3q07A-2uuuA:
17.94
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.
2v2t TRANSCRIPTION FACTOR
RELB

(Mus musculus) 		PF00554
(RHD_DNA_bind)
PF16179
(RHD_dimer) 		4 TYR A 104
PRO A 264
THR A 159
THR A 108
 None
 1.39A 3q07A-2v2tA:
undetectable		 3q07A-2v2tA:
21.52
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) 		5 CYH A  69
TYR A 105
PRO A 167
THR A 171
THR A 235
 None
 0.57A 3q07A-2wyxA:
45.7		 3q07A-2wyxA:
83.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a1j CELL CYCLE
CHECKPOINT PROTEIN
RAD1

(Homo sapiens) 		PF02144
(Rad1) 		4 CYH C 215
TYR C 203
PRO C 186
THR C 218
 None
 1.31A 3q07A-3a1jC:
undetectable		 3q07A-3a1jC:
20.85
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.
3c2u XYLOSIDASE/ARABINOSI
DASE

(Selenomonas
ruminantium) 		PF04616
(Glyco_hydro_43)
PF07081
(DUF1349) 		4 CYH A 413
TYR A 501
PRO A 287
THR A 439
 None
 1.48A 3q07A-3c2uA:
undetectable		 3q07A-3c2uA:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3egj N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Vibrio cholerae) 		PF01979
(Amidohydro_1) 		4 CYH A  63
PRO A  94
THR A  76
THR A 309
 None
 1.26A 3q07A-3egjA:
undetectable		 3q07A-3egjA:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ftj MACROLIDE EXPORT
ATP-BINDING/PERMEASE
PROTEIN MACB

(Aggregatibacter
actinomycetemcomitans) 		PF12704
(MacB_PCD) 		4 TYR A 380
PRO A 464
THR A 401
THR A 482
 None
 1.42A 3q07A-3ftjA:
undetectable		 3q07A-3ftjA:
21.38
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.
3gnr OS03G0212800 PROTEIN

(Oryza sativa) 		PF00232
(Glyco_hydro_1) 		4 TYR A 321
PRO A 371
THR A 425
THR A 393
 TYR  A 321 (-1.3A)
PRO  A 371 ( 1.1A)
THR  A 425 ( 0.8A)
THR  A 393 ( 0.8A)
 1.38A 3q07A-3gnrA:
undetectable		 3q07A-3gnrA:
22.06
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.
3jzd IRON-CONTAINING
ALCOHOL
DEHYDROGENASE

(Cupriavidus
pinatubonensis) 		PF00465
(Fe-ADH) 		4 TYR A 224
PRO A 156
THR A 120
THR A 231
 None
None
NAD  A 400 (-3.8A)
None
 1.38A 3q07A-3jzdA:
undetectable		 3q07A-3jzdA:
21.24
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.
3ph9 ANTERIOR GRADIENT
PROTEIN 3 HOMOLOG

(Homo sapiens) 		PF13899
(Thioredoxin_7) 		4 TYR A  54
PRO A 124
THR A 127
THR A  47
 None
 1.31A 3q07A-3ph9A:
undetectable		 3q07A-3ph9A:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ryt PLEXIN-A1

(Mus musculus) 		PF08337
(Plexin_cytopl) 		4 CYH A1464
TYR A1543
PRO A1318
THR A1309
 None
 1.45A 3q07A-3rytA:
undetectable		 3q07A-3rytA:
17.73
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) 		4 CYH A  69
TYR A 105
THR A 171
THR A 235
 None
 0.38A 3q07A-3w4qA:
44.1		 3q07A-3w4qA:
57.41
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) 		5 CYH A  69
TYR A 105
PRO A 167
THR A 171
THR A 235
 None
 0.37A 3q07A-3znyA:
47.4		 3q07A-3znyA:
81.75
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) 		4 CYH A  69
TYR A 105
PRO A 167
THR A 235
 None
None
None
SO4  A 291 (-3.8A)
 0.49A 3q07A-4c75A:
42.7		 3q07A-4c75A:
56.65
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.
4efz METALLO-BETA-LACTAMA
SE FAMILY PROTEIN

(Burkholderia
pseudomallei) 		PF00753
(Lactamase_B) 		4 CYH A 182
PRO A 141
THR A 171
THR A 251
 None
 1.48A 3q07A-4efzA:
undetectable		 3q07A-4efzA:
20.71
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.
4n9g ANTIBODY 17HD9,
HEAVY CHAIN
EPITOPE SCAFFOLD
RSV_1ISEA_FFL_001_C

(Macaca mulatta;
synthetic
construct) 		PF01765
(RRF)
PF07654
(C1-set)
PF07686
(V-set) 		4 TYR A  59
PRO C  75
THR C  77
THR A  35
 None
 1.50A 3q07A-4n9gA:
undetectable		 3q07A-4n9gA:
25.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wa8 FLAP ENDONUCLEASE 1

(Methanopyrus
kandleri) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		4 TYR A  34
PRO A  46
THR A  55
THR A 186
 None
 1.28A 3q07A-4wa8A:
undetectable		 3q07A-4wa8A:
24.31
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) 		5 CYH A  46
TYR A  82
PRO A 144
THR A 148
THR A 212
 None
 0.44A 3q07A-5e2eA:
44.3		 3q07A-5e2eA:
58.21
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) 		4 TYR A  97
PRO A 160
THR A 164
THR A 228
 CIT  A 303 (-4.1A)
None
None
CIT  A 303 (-3.6A)
 0.37A 3q07A-5eoeA:
40.7		 3q07A-5eoeA:
41.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ggs PROGRAMMED CELL
DEATH PROTEIN 1

(Homo sapiens) 		PF07686
(V-set) 		4 CYH Y 123
PRO Y  34
THR Y  36
THR Y  76
 None
 1.44A 3q07A-5ggsY:
undetectable		 3q07A-5ggsY:
19.68
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) 		4 CYH A  69
TYR A 105
THR A 171
THR A 235
 None
 0.69A 3q07A-5gl9A:
45.0		 3q07A-5gl9A:
57.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kjm N-LYSINE
METHYLTRANSFERASE
SMYD2

(Homo sapiens) 		PF00856
(SET)
PF01753
(zf-MYND) 		4 CYH A 209
TYR A 258
THR A 247
THR A 238
 ZN  A 505 (-2.4A)
6TM  A 502 ( 4.2A)
None
None
 1.26A 3q07A-5kjmA:
undetectable		 3q07A-5kjmA:
20.09
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.
5mg5 HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Pseudomonas
protegens) 		no annotation 4 CYH A  83
TYR A 198
PRO A 193
THR A 144
 None
 1.26A 3q07A-5mg5A:
undetectable		 3q07A-5mg5A:
17.11
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.
5n81 TYROCIDINE SYNTHASE
1

(Brevibacillus
parabrevis) 		no annotation 4 TYR A 317
PRO A 287
THR A 291
THR A 276
 None
None
None
8Q2  A 501 ( 4.9A)
 1.43A 3q07A-5n81A:
undetectable		 3q07A-5n81A:
14.02
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.
5wt4 CYSTEINE DESULFURASE
ISCS

(Helicobacter
pylori) 		no annotation 4 TYR A 263
PRO A 296
THR A 298
THR A 362
 None
 1.47A 3q07A-5wt4A:
undetectable		 3q07A-5wt4A:
16.73
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 5 CYH A  69
TYR A 105
PRO A 167
THR A 171
THR A 235
 None
3GK  A 302 ( 3.5A)
3GK  A 301 (-4.1A)
3GK  A 301 (-4.1A)
3GK  A 301 (-3.7A)
 0.16A 3q07A-6bu3A:
49.3		 3q07A-6bu3A:
97.50