SIMILAR PATTERNS OF AMINO ACIDS FOR 1I2W_A_CFXA1300

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) 		8 ALA A  69
SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
LYS A 234
GLY A 236
 None
 0.38A 1i2wA-1alqA:
30.1		 1i2wA-1alqA:
35.62
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) 		9 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
THR A 216
LYS A 234
GLY A 236
ALA A 237
 None
 0.39A 1i2wA-1bsgA:
41.5		 1i2wA-1bsgA:
41.01
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) 		8 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
THR A 216
LYS A 234
GLY A 236
 None
 0.39A 1i2wA-1bueA:
40.2		 1i2wA-1bueA:
41.34
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) 		8 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
THR A 216
LYS A 234
GLY A 236
 None
 0.50A 1i2wA-1dy6A:
39.9		 1i2wA-1dy6A:
44.93
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.
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		8 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
THR A 216
LYS A 234
GLY A 236
 SO4  A 500 (-3.1A)
None
SO4  A 500 (-2.6A)
None
None
SO4  A 500 ( 4.0A)
SO4  A 500 (-3.2A)
SO4  A 500 (-3.5A)
 0.38A 1i2wA-1e25A:
31.1		 1i2wA-1e25A:
29.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1g68 BETA-LACTAMASE PSE-4

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		7 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
GLY A 236
ALA A 237
 SO4  A 400 (-2.9A)
SO4  A 400 ( 4.7A)
SO4  A 400 (-2.7A)
None
None
SO4  A 400 (-3.0A)
SO4  A 400 (-3.6A)
 0.56A 1i2wA-1g68A:
38.2		 1i2wA-1g68A:
32.06
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 ALA A  69
SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
THR A 216
LYS A 234
GLY A 236
 None
MES  A1000 (-3.1A)
None
MES  A1000 (-2.7A)
None
None
MES  A1000 (-3.7A)
MES  A1000 (-2.9A)
MES  A1000 (-3.1A)
 0.49A 1i2wA-1hzoA:
41.6		 1i2wA-1hzoA:
43.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1n4o L2 BETA-LACTAMASE

(Stenotrophomonas
maltophilia) 		PF13354
(Beta-lactamase2) 		8 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
THR A 216
LYS A 234
GLY A 236
 SO4  A1002 (-2.9A)
SO4  A1002 ( 4.9A)
SO4  A1002 (-3.1A)
None
None
SO4  A1002 ( 4.8A)
SO4  A1002 (-3.6A)
SO4  A1002 (-3.2A)
 0.37A 1i2wA-1n4oA:
38.8		 1i2wA-1n4oA:
37.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1n9b BETA-LACTAMASE SHV-2

(Klebsiella
pneumoniae) 		PF13354
(Beta-lactamase2) 		8 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
LYS A 234
GLY A 236
ALA A 237
 EPE  A 400 (-3.7A)
None
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.1A)
EPE  A 400 (-4.0A)
 0.65A 1i2wA-1n9bA:
34.6		 1i2wA-1n9bA:
36.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nrf REGULATORY PROTEIN
BLAR1

(Bacillus
licheniformis) 		PF00905
(Transpeptidase) 		6 ALA A 401
SER A 402
LYS A 405
SER A 450
LYS A 539
GLY A 541
 None
 0.58A 1i2wA-1nrfA:
19.3		 1i2wA-1nrfA:
24.83
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) 		8 ALA A  69
SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
LYS A 234
GLY A 236
 None
 0.75A 1i2wA-1pioA:
40.5		 1i2wA-1pioA:
40.86
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.
1w5d PENICILLIN-BINDING
PROTEIN

(Bacillus
subtilis) 		PF02113
(Peptidase_S13) 		8 ALA A  51
SER A  52
LYS A  55
SER A 299
ASN A 301
THR A 394
LYS A 411
GLY A 413
 None
 0.44A 1i2wA-1w5dA:
20.2		 1i2wA-1w5dA:
19.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Streptococcus
pneumoniae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		8 ALA A  55
SER A  56
LYS A  59
SER A 119
ASN A 121
THR A 221
LYS A 239
GLY A 241
 None
SO4  A 464 (-3.4A)
None
SO4  A 464 (-3.4A)
None
SO4  A 464 ( 4.0A)
SO4  A 464 (-3.5A)
SO4  A 464 ( 3.8A)
 0.40A 1i2wA-1xp4A:
21.0		 1i2wA-1xp4A:
24.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zg4 BETA-LACTAMASE TEM

(Escherichia
coli) 		PF13354
(Beta-lactamase2) 		8 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
LYS A 234
GLY A 236
ALA A 237
 None
 0.36A 1i2wA-1zg4A:
37.5		 1i2wA-1zg4A:
37.46
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.
2c6w PENICILLIN-BINDING
PROTEIN 1A

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		8 SER B 370
LYS B 373
SER B 428
ASN B 430
ASN B 562
THR B 543
LYS B 557
GLY B 559
 CL  B 704 (-3.5A)
None
CL  B 704 (-3.4A)
None
None
CL  B 704 ( 4.8A)
None
CL  B 704 ( 4.0A)
 1.05A 1i2wA-2c6wB:
16.4		 1i2wA-2c6wB:
22.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2cc1 BETA-LACTAMASE

(Mycolicibacterium
fortuitum) 		PF13354
(Beta-lactamase2) 		8 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
THR A 216
LYS A 234
GLY A 236
 None
 0.33A 1i2wA-2cc1A:
39.3		 1i2wA-2cc1A:
40.07
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) 		7 ALA A  61
SER A  62
LYS A  65
SER A 306
ASN A 308
LYS A 417
GLY A 419
 DGF  A 501 (-3.6A)
DGF  A 501 (-1.3A)
DGF  A 501 ( 4.0A)
DGF  A 501 (-3.3A)
DGF  A 501 (-3.0A)
None
DGF  A 501 (-3.4A)
 0.39A 1i2wA-2exaA:
17.6		 1i2wA-2exaA:
20.30
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.
2fff PENICILLIN-BINDING
PROTEIN 1B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		8 ALA B 459
SER B 460
LYS B 463
SER B 516
ASN B 518
THR B 629
LYS B 651
GLY B 653
 None
 0.58A 1i2wA-2fffB:
16.2		 1i2wA-2fffB:
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.
2fff PENICILLIN-BINDING
PROTEIN 1B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		8 SER B 460
LYS B 463
SER B 516
ASN B 518
ASN B 656
THR B 629
LYS B 651
GLY B 653
 None
 1.09A 1i2wA-2fffB:
16.2		 1i2wA-2fffB:
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.
2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN

(Staphylococcus
aureus) 		PF00905
(Transpeptidase) 		6 SER A 391
LYS A 394
SER A 439
ASN A 441
LYS A 528
GLY A 530
 GOL  A 604 ( 2.7A)
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)
 0.52A 1i2wA-2iwbA:
19.2		 1i2wA-2iwbA:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 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) 		8 ALA A  60
SER A  61
LYS A  64
SER A 122
ASN A 124
THR A 202
LYS A 219
GLY A 221
 None
 0.77A 1i2wA-2j7vA:
32.5		 1i2wA-2j7vA:
26.95
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.
2jch PENICILLIN-BINDING
PROTEIN 1B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		8 ALA A 459
SER A 460
LYS A 463
SER A 516
ASN A 518
ASN A 656
LYS A 651
GLY A 653
 PL7  A1793 (-3.5A)
PL7  A1793 (-1.4A)
PL7  A1793 ( 4.0A)
PL7  A1793 (-3.0A)
PL7  A1793 (-3.2A)
PL7  A1793 (-4.8A)
PL7  A1793 ( 4.1A)
PL7  A1793 (-3.3A)
 1.03A 1i2wA-2jchA:
15.1		 1i2wA-2jchA:
18.51
Potential target for repurposing, i.e. matched protein structure has less than 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) 		8 ALA A 459
SER A 460
LYS A 463
SER A 516
ASN A 518
THR A 629
LYS A 651
GLY A 653
 PL7  A1793 (-3.5A)
PL7  A1793 (-1.4A)
PL7  A1793 ( 4.0A)
PL7  A1793 (-3.0A)
PL7  A1793 (-3.2A)
PL7  A1793 ( 4.1A)
PL7  A1793 ( 4.1A)
PL7  A1793 (-3.3A)
 0.67A 1i2wA-2jchA:
15.1		 1i2wA-2jchA:
18.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v2f PENICILLIN BINDING
PROTEIN 1A

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		6 LYS F 373
SER F 428
ASN F 430
THR F 543
LYS F 557
GLY F 559
 None
MES  F1653 (-3.1A)
None
MES  F1653 (-3.7A)
MES  F1653 ( 4.0A)
MES  F1653 (-3.6A)
 0.74A 1i2wA-2v2fF:
17.1		 1i2wA-2v2fF:
21.67
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.
2v2f PENICILLIN BINDING
PROTEIN 1A

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		6 SER F 370
SER F 428
ASN F 430
THR F 543
LYS F 557
GLY F 559
 MES  F1653 (-2.7A)
MES  F1653 (-3.1A)
None
MES  F1653 (-3.7A)
MES  F1653 ( 4.0A)
MES  F1653 (-3.6A)
 0.79A 1i2wA-2v2fF:
17.1		 1i2wA-2v2fF:
21.67
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.
2wae PENICILLIN-BINDING
PROTEIN 2B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		7 SER A 386
LYS A 389
SER A 443
ASN A 445
THR A 600
LYS A 615
GLY A 617
 None
 0.46A 1i2wA-2waeA:
14.7		 1i2wA-2waeA:
19.47
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.
2wuq BETA-LACTAMASE
REGULATORY PROTEIN
BLAB

(Streptomyces
cacaoi) 		PF13354
(Beta-lactamase2) 		6 ALA A  46
SER A  47
LYS A  50
SER A 109
LYS A 254
GLY A 256
 None
 0.31A 1i2wA-2wuqA:
29.8		 1i2wA-2wuqA:
24.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wyx BETA-LACTAMSE TOHO-1

(Escherichia
coli) 		PF13354
(Beta-lactamase2) 		8 SER A  70
LYS A  73
ASN A 104
SER A 130
ASN A 132
THR A 216
LYS A 234
GLY A 236
 None
 0.32A 1i2wA-2wyxA:
40.9		 1i2wA-2wyxA:
41.30
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.
2z2m PENICILLIN-BINDING
PROTEIN 2X

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		7 SER B 337
LYS B 340
SER B 395
ASN B 397
THR B 526
LYS B 547
GLY B 549
 CDS  B 901 ( 1.3A)
CDS  B 901 ( 4.2A)
CDS  B 901 ( 3.2A)
CDS  B 901 ( 3.0A)
CDS  B 901 ( 4.1A)
CDS  B 901 ( 3.9A)
CDS  B 901 ( 3.4A)
 0.41A 1i2wA-2z2mB:
16.2		 1i2wA-2z2mB:
23.04
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.
2zj9 AMPC

(Escherichia
coli) 		PF00144
(Beta-lactamase) 		6 SER A  64
LYS A  67
ASN A 152
LYS A 315
GLY A 317
ALA A 318
 None
 0.43A 1i2wA-2zj9A:
13.8		 1i2wA-2zj9A:
23.77
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.
3a3i PENICILLIN-BINDING
PROTEIN 4

(Haemophilus
influenzae) 		PF02113
(Peptidase_S13) 		8 ALA A  68
SER A  69
LYS A  72
SER A 310
ASN A 312
THR A 401
LYS A 420
GLY A 422
 AIX  A 501 (-3.6A)
AIX  A 501 (-1.3A)
AIX  A 501 ( 4.0A)
AIX  A 501 (-2.8A)
AIX  A 501 (-3.3A)
AIX  A 501 ( 4.0A)
AIX  A 501 ( 3.8A)
AIX  A 501 (-3.4A)
 0.47A 1i2wA-3a3iA:
20.9		 1i2wA-3a3iA:
20.35
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.
3a3j PBP5

(Haemophilus
influenzae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		6 ALA A  64
SER A  65
LYS A  68
SER A 128
ASN A 130
GLY A 233
 None
None
None
SO4  A   1 ( 4.8A)
None
SO4  A   1 (-3.5A)
 0.62A 1i2wA-3a3jA:
22.4		 1i2wA-3a3jA:
25.93
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) 		10 SER A  70
LYS A  73
ASN A 104
SER A 130
ASN A 132
GLU A 166
THR A 216
LYS A 234
GLY A 236
ALA A 237
 MER  A 301 (-1.3A)
MER  A 301 ( 3.8A)
MER  A 301 ( 4.1A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.3A)
MER  A 301 (-3.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.0A)
MER  A 301 (-4.2A)
 0.48A 1i2wA-3bfgA:
41.5		 1i2wA-3bfgA:
42.25
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) 		9 SER A  73
LYS A  76
SER A 133
ASN A 135
GLU A 169
THR A 219
LYS A 237
GLY A 239
ALA A 240
 SO4  A 301 (-2.9A)
SO4  A 301 ( 4.9A)
SO4  A 301 (-2.8A)
None
None
SO4  A 301 ( 4.0A)
SO4  A 301 (-3.1A)
SO4  A 301 (-3.3A)
SO4  A 301 (-3.6A)
 0.32A 1i2wA-3bydA:
41.4		 1i2wA-3bydA:
41.58
Potential target for repurposing, i.e. matched protein structure has less than 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) 		7 ALA A 107
SER A 108
LYS A 111
SER A 169
ASN A 171
LYS A 257
GLY A 259
 None
NO3  A   1 (-2.9A)
NO3  A   1 (-3.5A)
None
NO3  A   1 ( 4.7A)
None
None
 0.39A 1i2wA-3cjmA:
26.2		 1i2wA-3cjmA:
28.06
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.
3dwk PENICILLIN-BINDING
PROTEIN 2

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		6 SER A 398
LYS A 401
SER A 454
ASN A 456
LYS A 583
GLY A 585
 SO4  A  26 (-2.7A)
SO4  A  26 ( 4.8A)
SO4  A  26 (-3.1A)
None
SO4  A  26 ( 4.2A)
SO4  A  26 (-3.3A)
 0.52A 1i2wA-3dwkA:
17.1		 1i2wA-3dwkA:
18.70
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 SER A  84
LYS A  87
SER A 142
GLU A 182
THR A 232
LYS A 250
GLY A 252
 DWZ  A 400 (-1.3A)
DWZ  A 400 (-2.6A)
DWZ  A 400 (-2.7A)
DWZ  A 400 (-2.8A)
DWZ  A 400 ( 4.5A)
DWZ  A 400 ( 3.8A)
DWZ  A 400 (-3.3A)
 0.35A 1i2wA-3dwzA:
41.5		 1i2wA-3dwzA:
44.37
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.
3hum PENICILLIN-BINDING
PROTEIN 4

(Staphylococcus
aureus) 		PF00768
(Peptidase_S11)
PF09211
(DUF1958) 		7 ALA A  74
SER A  75
LYS A  78
SER A 139
ASN A 141
LYS A 259
GLY A 261
 CEW  A 501 ( 4.1A)
CEW  A 501 (-2.6A)
None
CEW  A 501 (-3.4A)
None
CEW  A 501 ( 4.4A)
CEW  A 501 (-3.1A)
 0.56A 1i2wA-3humA:
22.7		 1i2wA-3humA:
21.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lez BETA-LACTAMASE

(Oceanobacillus
iheyensis) 		PF13354
(Beta-lactamase2) 		8 SER A  85
LYS A  88
ASN A 145
GLU A 179
THR A 229
LYS A 247
GLY A 249
ALA A 250
 EPE  A 305 (-3.4A)
None
None
None
EPE  A 305 ( 3.9A)
EPE  A 305 (-3.1A)
EPE  A 305 (-3.4A)
EPE  A 305 ( 4.1A)
 0.38A 1i2wA-3lezA:
44.1		 1i2wA-3lezA:
55.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lez BETA-LACTAMASE

(Oceanobacillus
iheyensis) 		PF13354
(Beta-lactamase2) 		7 SER A  85
SER A 143
ASN A 145
THR A 229
LYS A 247
GLY A 249
ALA A 250
 EPE  A 305 (-3.4A)
EPE  A 305 (-2.5A)
None
EPE  A 305 ( 3.9A)
EPE  A 305 (-3.1A)
EPE  A 305 (-3.4A)
EPE  A 305 ( 4.1A)
 0.61A 1i2wA-3lezA:
44.1		 1i2wA-3lezA:
55.67
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.
3mfd D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACB

(Bacillus
subtilis) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		7 ALA A  59
SER A  60
LYS A  63
SER A 115
ASN A 117
LYS A 220
GLY A 222
 CIT  A   1 ( 4.5A)
CIT  A   1 (-2.5A)
CIT  A   1 ( 4.4A)
CIT  A   1 (-2.8A)
None
CIT  A   1 ( 3.7A)
CIT  A   1 (-3.3A)
 0.31A 1i2wA-3mfdA:
22.5		 1i2wA-3mfdA:
23.23
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.
3p09 BETA-LACTAMASE

(Francisella
tularensis) 		PF13354
(Beta-lactamase2) 		7 SER A  61
LYS A  64
SER A 122
GLU A 158
THR A 208
LYS A 226
GLY A 228
 SO4  A 288 (-3.1A)
None
SO4  A 288 (-2.7A)
None
SO4  A 288 ( 4.8A)
SO4  A 288 (-3.5A)
SO4  A 288 (-3.3A)
 0.38A 1i2wA-3p09A:
39.1		 1i2wA-3p09A:
29.55
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.
3q7z BETA-LACTAMASE
REGULATORY PROTEIN
BLAR1

(Staphylococcus
aureus) 		PF00905
(Transpeptidase) 		6 SER A 389
LYS A 392
SER A 437
ASN A 439
LYS A 526
GLY A 528
 BOU  A 584 (-1.4A)
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)
 0.43A 1i2wA-3q7zA:
18.3		 1i2wA-3q7zA:
22.95
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) 		10 ALA A  69
SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
THR A 216
LYS A 234
GLY A 236
ALA A 237
 None
 0.38A 1i2wA-3qhyA:
43.7		 1i2wA-3qhyA:
58.27
Potential target for repurposing, i.e. matched protein structure has less than 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) 		6 ALA A  58
SER A  59
LYS A  62
ASN A 158
LYS A 299
GLY A 301
 CIT  A 391 ( 4.1A)
CIT  A 391 (-2.5A)
CIT  A 391 ( 4.4A)
CIT  A 391 ( 4.7A)
CIT  A 391 ( 4.4A)
CIT  A 391 (-3.3A)
 0.51A 1i2wA-3rjuA:
14.3		 1i2wA-3rjuA:
23.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ue3 SEPTUM FORMATION,
PENICILLIN BINDING
PROTEIN 3,
PEPTIDOGLYCAN
SYNTHETASE

(Acinetobacter
sp. ATCC 27244) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		7 SER A 336
LYS A 339
SER A 390
ASN A 392
THR A 511
LYS A 525
GLY A 527
 None
 0.76A 1i2wA-3ue3A:
16.2		 1i2wA-3ue3A:
20.50
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.
3upn PENICILLIN-BINDING
PROTEIN A

(Mycobacterium
tuberculosis) 		PF00905
(Transpeptidase) 		6 SER A 222
LYS A 225
SER A 281
ASN A 283
LYS A 424
GLY A 426
 IM2  A 800 (-1.3A)
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)
 0.42A 1i2wA-3upnA:
17.2		 1i2wA-3upnA:
21.77
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.
3v39 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Bdellovibrio
bacteriovorus) 		PF02113
(Peptidase_S13) 		8 ALA A  69
SER A  70
LYS A  73
SER A 251
ASN A 253
THR A 342
LYS A 357
GLY A 359
 TAU  A 501 (-3.4A)
TAU  A 501 (-1.5A)
TAU  A 501 ( 3.7A)
TAU  A 501 (-2.6A)
TAU  A 501 (-3.1A)
None
TAU  A 501 ( 4.3A)
TAU  A 501 (-3.5A)
 0.35A 1i2wA-3v39A:
17.9		 1i2wA-3v39A:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vsk PENICILLIN-BINDING
PROTEIN 3

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		6 SER A 392
LYS A 395
ASN A 450
THR A 603
LYS A 618
GLY A 620
 None
 0.72A 1i2wA-3vskA:
16.2		 1i2wA-3vskA:
20.28
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.
3vsk PENICILLIN-BINDING
PROTEIN 3

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		6 SER A 392
SER A 448
ASN A 450
THR A 603
LYS A 618
GLY A 620
 None
 0.56A 1i2wA-3vskA:
16.2		 1i2wA-3vskA:
20.28
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 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
LYS A 234
GLY A 236
 None
 0.37A 1i2wA-3w4qA:
42.1		 1i2wA-3w4qA:
46.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zdj ENCA BETA-LACTAMASE

(synthetic
construct) 		PF13354
(Beta-lactamase2) 		8 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
LYS A 234
GLY A 236
ALA A 237
 SO4  A1291 (-3.4A)
None
SO4  A1291 (-3.1A)
None
None
SO4  A1291 (-3.3A)
SO4  A1291 (-3.3A)
SO4  A1291 (-3.9A)
 0.39A 1i2wA-3zdjA:
38.1		 1i2wA-3zdjA:
38.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zg8 PENICILLIN-BINDING
PROTEIN 4

(Listeria
monocytogenes) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		7 SER B 394
LYS B 397
SER B 449
ASN B 451
THR B 561
LYS B 575
GLY B 577
 AIX  B 800 (-0.2A)
AIX  B 800 ( 3.1A)
AIX  B 800 (-2.4A)
AIX  B 800 (-2.7A)
AIX  B 800 ( 3.8A)
AIX  B 800 ( 4.0A)
AIX  B 800 ( 3.7A)
 0.63A 1i2wA-3zg8B:
16.4		 1i2wA-3zg8B:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zny CTX-M-12A ENZYME

(Klebsiella
pneumoniae) 		PF13354
(Beta-lactamase2) 		8 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
THR A 216
LYS A 234
GLY A 236
 None
 0.33A 1i2wA-3znyA:
41.6		 1i2wA-3znyA:
41.22
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.
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp. R39) 		PF02113
(Peptidase_S13) 		8 ALA A  48
SER A  49
LYS A  52
SER A 298
ASN A 300
THR A 393
LYS A 410
GLY A 412
 B07  A 500 (-3.8A)
B07  A 500 (-1.4A)
B07  A 500 (-3.4A)
B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 ( 4.8A)
B07  A 500 (-1.6A)
B07  A 500 (-3.2A)
 0.65A 1i2wA-3zvtA:
20.3		 1i2wA-3zvtA:
21.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c6y BETA-LACTAMASE

(synthetic
construct) 		PF13354
(Beta-lactamase2) 		8 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
THR A 216
LYS A 234
GLY A 236
 PEG  A 307 (-2.4A)
PEG  A 307 ( 3.6A)
PEG  A 307 (-2.4A)
PEG  A 307 (-3.1A)
None
PEG  A 307 ( 4.3A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-2.7A)
 0.44A 1i2wA-4c6yA:
40.5		 1i2wA-4c6yA:
46.95
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 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
THR A 216
LYS A 234
GLY A 236
 NA  A 294 ( 2.5A)
SO4  A 291 ( 4.6A)
SO4  A 291 (-2.8A)
None
None
SO4  A 291 ( 4.1A)
SO4  A 291 (-3.4A)
NA  A 294 ( 3.2A)
 0.36A 1i2wA-4c75A:
41.1		 1i2wA-4c75A:
54.84
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.
4d2o PER-2 BETA-LACTAMASE

(Citrobacter
freundii) 		PF13354
(Beta-lactamase2) 		8 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
THR A 216
LYS A 234
GLY A 236
 None
 0.48A 1i2wA-4d2oA:
30.6		 1i2wA-4d2oA:
26.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1

(Serratia
fonticola) 		PF13354
(Beta-lactamase2) 		7 SER A  70
LYS A  73
SER A 130
ASN A 132
THR A 216
LYS A 234
GLY A 236
 MER  A 401 (-1.3A)
MER  A 401 ( 4.4A)
MER  A 401 (-2.8A)
MER  A 401 (-3.2A)
MER  A 401 ( 3.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.6A)
 0.40A 1i2wA-4ev4A:
40.5		 1i2wA-4ev4A:
45.42
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.
4ewf BETA-LACTAMASE

(Sphaerobacter
thermophilus) 		PF13354
(Beta-lactamase2) 		7 ALA A  48
SER A  49
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 (-3.1A)
None
SO4  A 301 (-3.0A)
SO4  A 301 (-3.5A)
 0.34A 1i2wA-4ewfA:
30.8		 1i2wA-4ewfA:
26.35
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.
4fsf PENICILLIN-BINDING
PROTEIN 3

(Pseudomonas
aeruginosa) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		6 SER A 294
LYS A 297
SER A 349
ASN A 351
LYS A 484
GLY A 486
 0W0  A 601 (-1.4A)
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)
 0.48A 1i2wA-4fsfA:
16.6		 1i2wA-4fsfA:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hes BETA-LACTAMASE CLASS
A-LIKE PROTEIN

(Veillonella
parvula) 		PF13354
(Beta-lactamase2) 		7 ALA A  55
SER A  56
LYS A  59
SER A 117
ASN A 119
LYS A 217
GLY A 219
 None
GOL  A 301 (-3.0A)
GOL  A 301 ( 4.2A)
GOL  A 301 (-2.7A)
None
GOL  A 301 ( 4.6A)
GOL  A 301 (-3.5A)
 0.38A 1i2wA-4hesA:
27.8		 1i2wA-4hesA:
25.33
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.
4mnr PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Eggerthella
lenta) 		PF00905
(Transpeptidase) 		7 SER A 182
LYS A 185
SER A 237
ASN A 239
THR A 383
LYS A 397
GLY A 399
 None
 0.54A 1i2wA-4mnrA:
16.5		 1i2wA-4mnrA:
22.44
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.
4oon PENICILLIN-BINDING
PROTEIN 1A

(Pseudomonas
aeruginosa) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		6 SER A 461
SER A 520
ASN A 522
THR A 680
LYS A 695
GLY A 697
 2U4  A 901 (-1.3A)
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)
 0.63A 1i2wA-4oonA:
15.8		 1i2wA-4oonA:
16.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ovd PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Atopobium
parvulum) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		7 SER A 305
LYS A 308
SER A 361
ASN A 363
THR A 486
LYS A 500
GLY A 502
 CA  A 601 (-3.4A)
None
CA  A 601 ( 3.8A)
None
CA  A 601 ( 4.7A)
CA  A 601 ( 4.1A)
CA  A 601 ( 4.2A)
 0.55A 1i2wA-4ovdA:
17.0		 1i2wA-4ovdA:
21.75
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.
4ppr PENICILLIN-BINDING
PROTEIN DACB1

(Mycobacterium
tuberculosis) 		PF00768
(Peptidase_S11) 		7 ALA A 120
SER A 121
LYS A 124
SER A 176
ASN A 178
LYS A 282
GLY A 284
 MER  A 400 (-3.5A)
MER  A 400 (-1.3A)
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)
 0.40A 1i2wA-4pprA:
20.3		 1i2wA-4pprA:
23.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ra7 PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Atopobium
parvulum) 		PF00905
(Transpeptidase) 		7 SER A 682
LYS A 685
SER A 737
ASN A 739
THR A 876
LYS A 890
GLY A 892
 NXU  A1001 (-1.3A)
NXU  A1001 ( 4.2A)
NXU  A1001 (-3.2A)
NXU  A1001 (-3.5A)
NXU  A1001 (-4.0A)
NXU  A1001 (-3.5A)
NXU  A1001 (-3.4A)
 0.49A 1i2wA-4ra7A:
15.7		 1i2wA-4ra7A:
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.
4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Mycobacterium
tuberculosis) 		PF00768
(Peptidase_S11) 		7 ALA A  68
SER A  69
LYS A  72
SER A 124
ASN A 126
LYS A 230
GLY A 232
 None
 0.34A 1i2wA-4ryeA:
22.2		 1i2wA-4ryeA:
24.01
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.
4u3t PENICILLIN-BINDING
PROTEIN 2

(Neisseria
gonorrhoeae) 		PF00905
(Transpeptidase) 		6 SER A 310
LYS A 313
SER A 362
ASN A 364
THR A 483
GLY A 499
 None
 0.73A 1i2wA-4u3tA:
16.0		 1i2wA-4u3tA:
28.29
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.
4ye5 PEPTIDOGLYCAN
SYNTHETASE
PENICILLIN-BINDING
PROTEIN 3

(Bifidobacterium
adolescentis) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		6 SER A 321
LYS A 324
SER A 376
ASN A 378
LYS A 520
GLY A 522
 None
 0.97A 1i2wA-4ye5A:
16.1		 1i2wA-4ye5A:
19.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yfm BETA-LACTAMASE

(Mycobacteroides
abscessus) 		PF13354
(Beta-lactamase2) 		8 SER A  71
LYS A  74
SER A 131
ASN A 133
GLU A 167
THR A 215
LYS A 233
GLY A 235
 ACT  A 301 (-3.5A)
ACT  A 301 ( 4.8A)
ACT  A 301 (-2.9A)
None
None
ACT  A 301 (-3.7A)
ACT  A 301 (-3.4A)
ACT  A 301 (-3.3A)
 0.42A 1i2wA-4yfmA:
40.1		 1i2wA-4yfmA:
44.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2

(Legionella
pneumophila) 		PF00905
(Transpeptidase) 		7 SER A 400
LYS A 403
SER A 454
ASN A 456
THR A 554
LYS A 568
GLY A 570
 NHE  A 901 (-3.2A)
None
NHE  A 901 (-2.9A)
None
NHE  A 901 ( 4.2A)
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
 0.59A 1i2wA-4ztkA:
15.9		 1i2wA-4ztkA:
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.
5aqa OFF7_DB04V3

(synthetic
construct) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13354
(Beta-lactamase2) 		8 SER A 200
LYS A 203
SER A 260
ASN A 262
GLU A 296
LYS A 364
GLY A 366
ALA A 367
 None
 0.42A 1i2wA-5aqaA:
37.0		 1i2wA-5aqaA:
27.83
Potential target for repurposing, i.e. matched protein structure has less than 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) 		7 ALA A  57
LYS A  61
SER A 239
ASN A 241
THR A 330
LYS A 345
GLY A 347
 None
 0.33A 1i2wA-5cerA:
18.6		 1i2wA-5cerA:
19.75
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.
5cxw PENICILLIN-BINDING
PROTEIN 1A

(Mycobacterium
tuberculosis) 		PF00905
(Transpeptidase) 		6 SER A 345
LYS A 348
SER A 398
ASN A 400
LYS A 539
GLY A 541
 35P  A 702 (-1.3A)
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)
 0.48A 1i2wA-5cxwA:
17.0		 1i2wA-5cxwA:
21.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e2e BETA-LACTAMASE

(Yersinia
enterocolitica) 		PF13354
(Beta-lactamase2) 		8 SER A  47
LYS A  50
SER A 107
ASN A 109
GLU A 143
THR A 193
LYS A 211
GLY A 213
 None
 0.36A 1i2wA-5e2eA:
41.6		 1i2wA-5e2eA:
41.43
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) 		8 SER A  70
LYS A  73
SER A 131
ASN A 133
GLU A 167
THR A 217
LYS A 235
GLY A 237
 ACT  A 311 (-3.2A)
None
ACT  A 311 (-3.0A)
None
None
ACT  A 311 ( 3.9A)
ACT  A 311 (-3.3A)
ACT  A 311 (-3.2A)
 0.33A 1i2wA-5e43A:
41.6		 1i2wA-5e43A:
38.82
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 SER A  62
LYS A  65
SER A 123
ASN A 125
GLU A 159
THR A 209
LYS A 227
GLY A 229
 CIT  A 303 (-2.8A)
CIT  A 303 (-3.6A)
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)
 0.33A 1i2wA-5eoeA:
39.0		 1i2wA-5eoeA:
37.04
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) 		8 SER A  64
LYS A  67
SER A 125
ASN A 127
GLU A 161
THR A 211
LYS A 229
GLY A 231
 IM2  A 301 (-1.4A)
IM2  A 301 ( 3.9A)
IM2  A 301 (-2.7A)
IM2  A 301 (-3.2A)
IM2  A 301 (-2.5A)
IM2  A 301 (-4.1A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.3A)
 0.33A 1i2wA-5f83A:
37.7		 1i2wA-5f83A:
35.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5gl9 BETA-LACTAMASE

(Burkholderia
thailandensis) 		PF13354
(Beta-lactamase2) 		8 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
THR A 216
LYS A 234
GLY A 236
 None
 0.35A 1i2wA-5gl9A:
41.4		 1i2wA-5gl9A:
43.21
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.
5hlb PENICILLIN-BINDING
PROTEIN 1B

(Escherichia
coli) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF14814
(UB2H) 		7 SER A 510
LYS A 513
SER A 572
ASN A 574
THR A 682
LYS A 698
GLY A 700
 AZR  A 902 (-1.4A)
AZR  A 902 ( 4.0A)
AZR  A 902 ( 3.7A)
AZR  A 902 (-3.4A)
AZR  A 902 (-3.4A)
AZR  A 902 ( 4.5A)
AZR  A 902 (-3.3A)
 0.61A 1i2wA-5hlbA:
17.2		 1i2wA-5hlbA:
19.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hw3 BETA-LACTAMASE

(Burkholderia
vietnamiensis) 		PF13354
(Beta-lactamase2) 		6 SER A  70
LYS A  73
SER A 131
ASN A 133
GLU A 167
GLY A 235
 SO4  A 301 (-2.7A)
None
SO4  A 301 (-2.6A)
None
None
SO4  A 301 (-3.4A)
 0.75A 1i2wA-5hw3A:
38.7		 1i2wA-5hw3A:
33.22
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.
5ksh PENICILLIN-BINDING
PROTEIN 2

(Neisseria
gonorrhoeae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		6 SER A 310
LYS A 313
SER A 362
ASN A 364
THR A 483
GLY A 499
 None
 0.80A 1i2wA-5kshA:
15.5		 1i2wA-5kshA:
20.77
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.
5ksh PENICILLIN-BINDING
PROTEIN 2

(Neisseria
gonorrhoeae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		6 SER A 310
LYS A 313
SER A 362
ASN A 364
THR A 483
LYS A 497
 None
 0.94A 1i2wA-5kshA:
15.5		 1i2wA-5kshA:
20.77
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.
5ll7 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 8 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
THR A 216
LYS A 234
GLY A 236
 6YV  A 301 (-1.7A)
6YV  A 301 ( 3.8A)
6YV  A 301 (-2.6A)
6YV  A 301 (-3.7A)
6YV  A 301 (-2.7A)
6YV  A 301 ( 4.2A)
6YV  A 301 (-3.6A)
6YV  A 301 ( 4.0A)
 0.48A 1i2wA-5ll7A:
41.5		 1i2wA-5ll7A:
18.62
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.
5lp4 PENICILLIN-BINDING
PROTEIN 2 (PBP2)

(Helicobacter
pylori) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		6 SER A 311
LYS A 314
SER A 366
THR A 498
LYS A 513
GLY A 515
 None
 0.52A 1i2wA-5lp4A:
15.4		 1i2wA-5lp4A:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tfq BETA-LACTAMASE

(Bacteroides
cellulosilyticus) 		PF13354
(Beta-lactamase2) 		8 SER A  48
LYS A  51
SER A 112
ASN A 114
GLU A 148
THR A 197
LYS A 215
GLY A 217
 PO4  A 301 (-3.8A)
None
PO4  A 301 (-2.6A)
None
None
PO4  A 301 ( 3.8A)
PO4  A 301 (-3.2A)
PO4  A 301 (-3.3A)
 0.30A 1i2wA-5tfqA:
31.5		 1i2wA-5tfqA:
26.67
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.
5tr7 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Vibrio cholerae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		7 ALA A  65
SER A  66
LYS A  69
SER A 129
ASN A 131
LYS A 232
GLY A 234
 None
 0.57A 1i2wA-5tr7A:
22.3		 1i2wA-5tr7A:
23.36
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.
5tro PENICILLIN-BINDING
PROTEIN 1

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		6 SER A 314
LYS A 317
SER A 368
ASN A 370
LYS A 513
GLY A 515
 None
 0.41A 1i2wA-5troA:
16.6		 1i2wA-5troA:
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.
5ty7 PENICILLIN-BINDING
PROTEIN 4

(Staphylococcus
aureus) 		no annotation 7 ALA A  74
SER A  75
LYS A  78
SER A 139
ASN A 141
LYS A 259
GLY A 261
 NFF  A 401 ( 3.7A)
NFF  A 401 (-1.1A)
NFF  A 401 ( 4.4A)
NFF  A 401 (-3.4A)
None
NFF  A 401 ( 4.8A)
NFF  A 401 (-3.7A)
 0.49A 1i2wA-5ty7A:
21.0		 1i2wA-5ty7A:
17.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u2g PENICILLIN-BINDING
PROTEIN 1A

(Haemophilus
influenzae) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		7 SER A 452
LYS A 455
SER A 510
ASN A 512
THR A 712
LYS A 728
GLY A 730
 None
 0.76A 1i2wA-5u2gA:
16.6		 1i2wA-5u2gA:
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.
5u2g PENICILLIN-BINDING
PROTEIN 1A

(Haemophilus
influenzae) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		7 SER A 452
LYS A 455
SER A 510
ASN A 733
THR A 712
LYS A 728
GLY A 730
 None
 1.21A 1i2wA-5u2gA:
16.6		 1i2wA-5u2gA:
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.
5u47 PENICILLIN BINDING
PROTEIN 2X

(Streptococcus
thermophilus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF03793
(PASTA) 		7 SER A 343
LYS A 346
SER A 402
ASN A 404
THR A 532
LYS A 553
GLY A 555
 None
 0.43A 1i2wA-5u47A:
16.5		 1i2wA-5u47A:
19.54
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.
5uy7 PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Burkholderia
ambifaria) 		PF00905
(Transpeptidase) 		6 SER A 306
LYS A 309
SER A 360
ASN A 362
LYS A 497
GLY A 499
 SO4  A 701 (-2.5A)
SO4  A 701 ( 4.8A)
SO4  A 701 ( 4.3A)
None
None
SO4  A 701 (-3.4A)
 0.70A 1i2wA-5uy7A:
16.5		 1i2wA-5uy7A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uy7 PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Burkholderia
ambifaria) 		PF00905
(Transpeptidase) 		6 SER A 306
LYS A 309
SER A 360
ASN A 362
THR A 483
LYS A 497
 SO4  A 701 (-2.5A)
SO4  A 701 ( 4.8A)
SO4  A 701 ( 4.3A)
None
None
None
 0.71A 1i2wA-5uy7A:
16.5		 1i2wA-5uy7A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x5g BETA-LACTAMASE

(Serratia
marcescens) 		PF13354
(Beta-lactamase2) 		8 SER A  56
LYS A  59
SER A 120
ASN A 122
GLU A 156
THR A 206
LYS A 224
GLY A 226
 OP0  A 305 (-1.5A)
OP0  A 305 (-3.6A)
OP0  A 305 (-2.7A)
OP0  A 305 (-3.1A)
OP0  A 305 (-3.2A)
OP0  A 305 (-3.6A)
OP0  A 305 (-3.4A)
OP0  A 305 (-3.2A)
 0.34A 1i2wA-5x5gA:
32.7		 1i2wA-5x5gA:
26.51
Potential target for repurposing, i.e. matched protein structure has less than 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 8 ALA A  57
SER A  58
LYS A  61
SER A 118
ASN A 120
THR A 208
LYS A 222
GLY A 224
 CES  A 301 (-3.5A)
CES  A 301 (-1.3A)
CES  A 301 ( 4.1A)
CES  A 301 ( 3.7A)
CES  A 301 (-3.3A)
CES  A 301 (-4.3A)
None
CES  A 301 (-3.2A)
 0.44A 1i2wA-5zqeA:
22.4		 1i2wA-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) 		7 ALA A  67
LYS A  71
SER A 125
ASN A 127
THR A 217
LYS A 232
GLY A 234
 SEE  A  68 ( 2.7A)
SEE  A  68 ( 2.8A)
SEE  A  68 ( 1.4A)
SEE  A  68 ( 3.6A)
None
SEE  A  68 ( 3.5A)
SEE  A  68 ( 3.9A)
 0.47A 1i2wA-6aziA:
21.7		 1i2wA-6aziA:
26.14
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.
6bu3 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 9 SER A  70
LYS A  73
ASN A 104
SER A 130
ASN A 132
GLU A 166
THR A 216
LYS A 234
GLY A 236
 3GK  A 301 ( 3.8A)
3GK  A 301 ( 4.0A)
3GK  A 301 ( 3.2A)
3GK  A 301 (-2.7A)
3GK  A 301 (-3.5A)
None
3GK  A 302 ( 4.3A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.4A)
 0.39A 1i2wA-6bu3A:
41.6		 1i2wA-6bu3A:
16.42
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.
1aei ANNEXIN XII

(Hydra vulgaris) 		PF00191
(Annexin) 		4 TYR A 248
LEU A 279
THR A 266
ARG A 269
 None
 1.19A 1i2wA-1aeiA:
undetectable		 1i2wA-1aeiA:
23.03
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.
1aol GP70

(Murine leukemia
virus) 		PF00429
(TLV_coat) 		4 TYR A 206
LEU A  41
THR A 202
ARG A 227
 None
 1.28A 1i2wA-1aolA:
undetectable		 1i2wA-1aolA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bk6 KARYOPHERIN ALPHA

(Saccharomyces
cerevisiae) 		PF00514
(Arm)
PF16186
(Arm_3) 		4 TYR A 283
PRO A 250
LEU A 212
THR A 236
 None
 1.27A 1i2wA-1bk6A:
undetectable		 1i2wA-1bk6A:
23.19
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.
1efp PROTEIN (ELECTRON
TRANSFER
FLAVOPROTEIN)

(Paracoccus
denitrificans) 		PF01012
(ETF) 		4 PRO B 175
LEU B 116
THR B 145
ARG B 161
 None
 1.21A 1i2wA-1efpB:
undetectable		 1i2wA-1efpB:
23.38
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.
1fbv SIGNAL TRANSDUCTION
PROTEIN CBL

(Homo sapiens) 		PF02262
(Cbl_N)
PF02761
(Cbl_N2)
PF02762
(Cbl_N3)
PF14447
(Prok-RING_4) 		4 TYR A  83
PRO A  89
THR A 152
ARG A 148
 None
 1.15A 1i2wA-1fbvA:
undetectable		 1i2wA-1fbvA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fn4 MONOCLONAL ANTIBODY
AGAINST
ACETYLCHOLINE
RECEPTOR

(Rattus
norvegicus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 PRO A  80
LEU A 106
THR A  74
ARG A  18
 None
 1.27A 1i2wA-1fn4A:
undetectable		 1i2wA-1fn4A:
23.13
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) 		4 TYR A 105
PRO A 167
LEU A 169
ARG A 244
 None
None
None
SO4  A 400 ( 4.6A)
 0.62A 1i2wA-1g68A:
38.2		 1i2wA-1g68A:
32.06
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
LEU A 169
THR A 235
 MES  A1000 (-3.9A)
None
None
MES  A1000 (-3.7A)
 0.57A 1i2wA-1hzoA:
41.6		 1i2wA-1hzoA:
43.71
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.
1ic8 HEPATOCYTE NUCLEAR
FACTOR 1-ALPHA

(Homo sapiens) 		PF00046
(Homeobox)
PF04814
(HNF-1_N) 		4 PRO A 129
LEU A 123
THR A 164
ARG A 168
 None
 1.39A 1i2wA-1ic8A:
undetectable		 1i2wA-1ic8A:
21.74
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) 		4 TYR A 105
LEU A 169
THR A 235
ARG A 244
 EPE  A 400 (-3.6A)
None
EPE  A 400 (-3.8A)
MA4  A 310 ( 3.8A)
 0.39A 1i2wA-1n9bA:
34.6		 1i2wA-1n9bA:
36.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nt4 GLUCOSE-1-PHOSPHATAS
E

(Escherichia
coli) 		PF00328
(His_Phos_2) 		4 TYR A 218
PRO A  23
LEU A  24
THR A 314
 None
 1.35A 1i2wA-1nt4A:
undetectable		 1i2wA-1nt4A:
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.
1pd2 HEMATOPOIETIC
PROSTAGLANDIN D
SYNTHASE

(Rattus
norvegicus) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		4 PRO 1 125
LEU 1 127
THR 1 158
ARG 1 178
 None
 1.23A 1i2wA-1pd21:
undetectable		 1i2wA-1pd21:
23.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pq4 PERIPLASMIC BINDING
PROTEIN COMPONENT OF
AN ABC TYPE ZINC
UPTAKE TRANSPORTER

(Synechocystis
sp. PCC 6803) 		PF01297
(ZnuA) 		4 TYR A  85
PRO A 111
LEU A 113
THR A  52
 None
 1.25A 1i2wA-1pq4A:
undetectable		 1i2wA-1pq4A:
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.
1svc PROTEIN (NUCLEAR
FACTOR KAPPA-B
(NF-KB))

(Homo sapiens) 		PF00554
(RHD_DNA_bind)
PF16179
(RHD_dimer) 		4 TYR P 166
PRO P 234
LEU P  45
THR P 127
 None
 1.36A 1i2wA-1svcP:
undetectable		 1i2wA-1svcP:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1thg LIPASE 2

(Galactomyces
candidus) 		PF00135
(COesterase) 		4 TYR A 273
PRO A 168
LEU A 172
THR A 278
 None
 1.25A 1i2wA-1thgA:
undetectable		 1i2wA-1thgA:
18.73
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.
1uek 4-(CYTIDINE
5'-DIPHOSPHO)-2C-MET
HYL-D-ERYTHRITOL
KINASE

(Thermus
thermophilus) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		4 TYR A 169
PRO A 205
LEU A 209
ARG A 162
 None
 1.39A 1i2wA-1uekA:
undetectable		 1i2wA-1uekA:
22.57
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.
1vav ALGINATE LYASE
PA1167

(Pseudomonas
aeruginosa) 		PF08787
(Alginate_lyase2) 		4 TYR A 193
LEU A 218
THR A  10
ARG A  59
 None
 1.40A 1i2wA-1vavA:
undetectable		 1i2wA-1vavA:
22.22
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.
1w45 ANNEXIN A8

(Homo sapiens) 		PF00191
(Annexin) 		4 TYR A 257
LEU A 288
THR A 275
ARG A 278
 None
 1.21A 1i2wA-1w45A:
undetectable		 1i2wA-1w45A:
24.59
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.
1wa5 IMPORTIN ALPHA
SUBUNIT

(Saccharomyces
cerevisiae) 		PF00514
(Arm)
PF01749
(IBB)
PF16186
(Arm_3) 		4 TYR B 283
PRO B 250
LEU B 212
THR B 236
 None
 1.33A 1i2wA-1wa5B:
undetectable		 1i2wA-1wa5B:
22.22
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.
1yii ANNEXIN A5

(Gallus gallus) 		PF00191
(Annexin) 		4 TYR A 250
LEU A 281
THR A 268
ARG A 271
 None
 1.15A 1i2wA-1yiiA:
undetectable		 1i2wA-1yiiA:
23.96
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.
1yzw GFP-LIKE
NON-FLUORESCENT
CHROMOPROTEIN

(Heteractis
crispa) 		PF01353
(GFP) 		4 PRO A 150
LEU A 155
THR A 145
ARG A 219
 None
 0.98A 1i2wA-1yzwA:
undetectable		 1i2wA-1yzwA:
22.97
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) 		4 TYR A 105
PRO A 167
LEU A 169
ARG A 244
 None
 0.53A 1i2wA-1zg4A:
37.5		 1i2wA-1zg4A:
37.46
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.
1zx5 MANNOSEPHOSPHATE
ISOMERASE, PUTATIVE

(Archaeoglobus
fulgidus) 		PF01238
(PMI_typeI) 		4 TYR A 257
LEU A 251
THR A 265
ARG A 261
 None
 1.27A 1i2wA-1zx5A:
undetectable		 1i2wA-1zx5A:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2abk ENDONUCLEASE III

(Escherichia
coli) 		PF00633
(HHH)
PF00730
(HhH-GPD)
PF10576
(EndIII_4Fe-2S) 		4 PRO A  29
LEU A  32
THR A 134
ARG A 108
 None
 1.25A 1i2wA-2abkA:
undetectable		 1i2wA-2abkA:
21.71
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.
2d1f THREONINE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00291
(PALP) 		4 TYR A 204
PRO A 188
LEU A 184
THR A  39
 None
 1.34A 1i2wA-2d1fA:
undetectable		 1i2wA-2d1fA:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e3z BETA-GLUCOSIDASE

(Phanerochaete
chrysosporium) 		PF00232
(Glyco_hydro_1) 		4 TYR A 301
LEU A 350
THR A 227
ARG A  77
 None
 1.39A 1i2wA-2e3zA:
undetectable		 1i2wA-2e3zA:
23.61
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.
2gd2 PROBABLE
ALPHA-METHYLACYL-COA
RACEMASE MCR

(Mycobacterium
tuberculosis) 		PF02515
(CoA_transf_3) 		4 TYR A 224
PRO A 222
LEU A 275
THR A 299
 None
 1.11A 1i2wA-2gd2A:
undetectable		 1i2wA-2gd2A:
22.16
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.
2h8q RED FLUORESCENT
PROTEIN DRFP583

(Discosoma sp.) 		PF01353
(GFP) 		4 PRO A 152
LEU A 157
THR A 147
ARG A 220
 None
 0.90A 1i2wA-2h8qA:
undetectable		 1i2wA-2h8qA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jjq UNCHARACTERIZED RNA
METHYLTRANSFERASE
PYRAB10780

(Pyrococcus
abyssi) 		PF05958
(tRNA_U5-meth_tr) 		4 TYR A 278
LEU A 404
THR A 371
ARG A 374
 SAH  A1406 (-4.7A)
None
None
None
 1.20A 1i2wA-2jjqA:
undetectable		 1i2wA-2jjqA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ktq PROTEIN (LARGE
FRAGMENT OF DNA
POLYMERASE I)

(Thermus
aquaticus) 		PF00476
(DNA_pol_A)
PF09281
(Taq-exonuc) 		4 TYR A 671
LEU A 622
THR A 571
ARG A 728
 DCT  A 113 (-4.7A)
None
None
None
 1.31A 1i2wA-2ktqA:
undetectable		 1i2wA-2ktqA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o5r GLUTAMYL-TRNA
SYNTHETASE 1

(Thermotoga
maritima) 		PF00749
(tRNA-synt_1c) 		4 TYR A 268
PRO A 270
LEU A  63
THR A 258
 None
 1.31A 1i2wA-2o5rA:
undetectable		 1i2wA-2o5rA:
21.17
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.
2ogf HYPOTHETICAL PROTEIN
MJ0408

(Methanocaldococcus
jannaschii) 		PF04038
(DHNA) 		4 TYR A  45
PRO A  41
LEU A  81
ARG A  52
 None
 1.35A 1i2wA-2ogfA:
undetectable		 1i2wA-2ogfA:
18.59
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.
2ov1 PERIPLASMIC BINDING
PROTEIN COMPONENT OF
AN ABC TYPE ZINC
UPTAKE TRANSPORTER

(Synechocystis
sp. PCC 6803) 		PF01297
(ZnuA) 		4 TYR A  85
PRO A 111
LEU A 113
THR A  52
 None
 1.32A 1i2wA-2ov1A:
undetectable		 1i2wA-2ov1A:
24.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qyt 2-DEHYDROPANTOATE
2-REDUCTASE

(Porphyromonas
gingivalis) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		4 TYR A  20
LEU A  55
THR A  59
ARG A  62
 None
None
None
EDO  A 323 (-3.9A)
 1.33A 1i2wA-2qytA:
undetectable		 1i2wA-2qytA:
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.
2ran ANNEXIN V

(Rattus
norvegicus) 		PF00191
(Annexin) 		4 TYR A 248
LEU A 279
THR A 266
ARG A 269
 None
 1.13A 1i2wA-2ranA:
undetectable		 1i2wA-2ranA:
24.93
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.
2vad RED FLUORESCENT
PROTEIN

(Discosoma sp.) 		PF01353
(GFP) 		4 PRO A 152
LEU A 157
THR A 147
ARG A 220
 None
CL  A1227 (-4.9A)
None
None
 0.92A 1i2wA-2vadA:
undetectable		 1i2wA-2vadA:
20.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wyx BETA-LACTAMSE TOHO-1

(Escherichia
coli) 		PF13354
(Beta-lactamase2) 		4 TYR A 105
PRO A 167
LEU A 169
THR A 235
 None
 0.61A 1i2wA-2wyxA:
40.9		 1i2wA-2wyxA:
41.30
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.
2zsj THREONINE SYNTHASE

(Aquifex
aeolicus) 		PF00291
(PALP) 		4 TYR A 197
PRO A 181
LEU A 177
THR A  31
 None
 1.34A 1i2wA-2zsjA:
undetectable		 1i2wA-2zsjA:
23.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3act CELLOBIOSE
PHOSPHORYLASE

(Cellulomonas
gilvus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		4 TYR A 103
PRO A 122
LEU A 123
THR A 316
 None
 1.15A 1i2wA-3actA:
undetectable		 1i2wA-3actA:
16.73
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.
3bbj PUTATIVE
THIOESTERASE II

(Thermobifida
fusca) 		PF13622
(4HBT_3) 		4 PRO A  72
LEU A  25
THR A  99
ARG A  66
 None
None
None
SO4  A 272 (-4.2A)
 1.24A 1i2wA-3bbjA:
undetectable		 1i2wA-3bbjA:
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.
3brn LIPOCALIN

(Argas
monolakensis) 		PF02098
(His_binding) 		4 TYR A 152
PRO A 155
LEU A 156
ARG A  30
 None
 1.30A 1i2wA-3brnA:
undetectable		 1i2wA-3brnA:
21.43
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.
3bxa FAR-RED FLUORESCENT
PROTEIN MKATE

(Entacmaea
quadricolor) 		PF01353
(GFP) 		4 PRO A 149
LEU A 154
THR A 144
ARG A 220
 None
 1.07A 1i2wA-3bxaA:
undetectable		 1i2wA-3bxaA:
21.94
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.
3cgl GFP-LIKE FLUORESCENT
CHROMOPROTEIN
DSFP483

(Discosoma
striata) 		PF01353
(GFP) 		4 PRO A 152
LEU A 157
THR A 147
ARG A 221
 None
 0.97A 1i2wA-3cglA:
undetectable		 1i2wA-3cglA:
22.07
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.
3ff4 UNCHARACTERIZED
PROTEIN

(Cytophaga
hutchinsonii) 		PF13380
(CoA_binding_2) 		4 TYR A  62
LEU A  94
THR A  58
ARG A  82
 None
 1.23A 1i2wA-3ff4A:
undetectable		 1i2wA-3ff4A:
20.43
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.
3gxo MMCR

(Streptomyces
lavendulae) 		PF00891
(Methyltransf_2) 		4 PRO A  44
LEU A  47
THR A  55
ARG A  69
 None
 1.33A 1i2wA-3gxoA:
undetectable		 1i2wA-3gxoA:
23.75
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.
3i4x TRYPTOPHAN
DIMETHYLALLYLTRANSFE
RASE

(Aspergillus
fumigatus) 		PF11991
(Trp_DMAT) 		4 TYR A 310
PRO A 313
LEU A 315
THR A 347
 None
None
GOL  A 462 ( 4.4A)
None
 1.36A 1i2wA-3i4xA:
undetectable		 1i2wA-3i4xA:
23.34
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) 		4 TYR A 118
LEU A 182
THR A 248
ARG A 256
 EPE  A 305 (-3.3A)
None
EPE  A 305 (-3.6A)
EPE  A 305 (-3.7A)
 0.34A 1i2wA-3lezA:
44.1		 1i2wA-3lezA:
55.67
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.
3nqh GLYCOSYL HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF04616
(Glyco_hydro_43) 		4 TYR A 404
PRO A 287
THR A 226
ARG A 443
 None
 1.26A 1i2wA-3nqhA:
undetectable		 1i2wA-3nqhA:
20.89
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.
3ntl ACID
GLUCOSE-1-PHOSPHATE
PHOSPHATASE

(Enterobacter
cloacae) 		PF00328
(His_Phos_2) 		4 TYR A 216
PRO A  21
LEU A  22
THR A 312
 None
None
IHP  A 550 (-3.7A)
None
 1.31A 1i2wA-3ntlA:
undetectable		 1i2wA-3ntlA:
21.30
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.
3o6q STAGE II SPORULATION
PROTEIN SA

(Bacillus
subtilis) 		PF14171
(SpoIISA_toxin) 		4 TYR A 211
LEU A 186
THR A 165
ARG A 171
 None
 1.36A 1i2wA-3o6qA:
undetectable		 1i2wA-3o6qA:
19.16
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.
3pop GILR OXIDASE

(Streptomyces
griseoflavus) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 PRO A 231
LEU A 278
THR A 242
ARG A 246
 None
 0.90A 1i2wA-3popA:
undetectable		 1i2wA-3popA:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qdk RIBULOKINASE

(Bacillus
halodurans) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 TYR A 177
PRO A 101
LEU A 184
THR A 235
 None
 1.26A 1i2wA-3qdkA:
undetectable		 1i2wA-3qdkA:
19.75
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.
3rwa FLUORESCENT PROTEIN
FP480

(Entacmaea
quadricolor) 		PF01353
(GFP) 		4 PRO A 219
LEU A 224
THR A 214
ARG A  53
 None
 1.29A 1i2wA-3rwaA:
undetectable		 1i2wA-3rwaA:
23.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wq4 BETA-PRIMEVEROSIDASE

(Camellia
sinensis) 		PF00232
(Glyco_hydro_1) 		4 TYR A 345
LEU A 400
THR A 271
ARG A 111
 None
 1.37A 1i2wA-3wq4A:
undetectable		 1i2wA-3wq4A:
19.77
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) 		4 TYR A 105
LEU A 169
THR A 235
ARG A 244
 None
None
SO4  A1291 (-3.6A)
SO4  A1291 ( 3.6A)
 0.38A 1i2wA-3zdjA:
38.1		 1i2wA-3zdjA:
38.95
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) 		4 TYR A 105
PRO A 167
LEU A 169
THR A 235
 None
 0.45A 1i2wA-3znyA:
41.6		 1i2wA-3znyA:
41.22
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.
3zou FARNESYL
PYROPHOSPHATE
SYNTHASE

(Pseudomonas
aeruginosa) 		PF00348
(polyprenyl_synt) 		4 PRO A 201
LEU A 204
THR A 142
ARG A 146
 None
 1.23A 1i2wA-3zouA:
undetectable		 1i2wA-3zouA:
22.75
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.
4a2w RETINOIC ACID
INDUCIBLE PROTEIN I

(Anas
platyrhynchos) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF16739
(CARD_2) 		4 TYR A 393
LEU A 363
THR A 370
ARG A 292
 None
 1.27A 1i2wA-4a2wA:
undetectable		 1i2wA-4a2wA:
16.14
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) 		5 TYR A 105
PRO A 167
LEU A 169
THR A 235
ARG A 244
 None
None
None
SO4  A 291 (-3.8A)
SO4  A 291 (-4.1A)
 0.75A 1i2wA-4c75A:
41.1		 1i2wA-4c75A:
54.84
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.
4d1i BETA-GALACTOSIDASE,
PUTATIVE, BGL35A

(Cellvibrio
japonicus) 		PF02449
(Glyco_hydro_42) 		4 PRO A  72
LEU A  75
THR A 196
ARG A 119
 None
 1.34A 1i2wA-4d1iA:
undetectable		 1i2wA-4d1iA:
22.44
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.
4fus RTX TOXINS AND
RELATED CA2+-BINDING
PROTEIN

(Hahella
chejuensis) 		PF02011
(Glyco_hydro_48) 		4 TYR A  63
PRO A  74
LEU A 181
THR A 199
 None
 1.36A 1i2wA-4fusA:
undetectable		 1i2wA-4fusA:
16.64
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.
4gbm CURM
SULFOTRANSFERASE

(Moorea
producens) 		PF13469
(Sulfotransfer_3) 		4 TYR A 248
LEU A 229
THR A  43
ARG A  46
 None
None
A3P  A 406 ( 3.6A)
None
 1.20A 1i2wA-4gbmA:
undetectable		 1i2wA-4gbmA:
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.
4gjp HAX3

(Xanthomonas
campestris) 		PF03377
(TAL_effector) 		4 PRO A 563
LEU A 527
THR A 547
ARG A 550
 None
 1.40A 1i2wA-4gjpA:
undetectable		 1i2wA-4gjpA:
21.17
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.
4gjp HAX3

(Xanthomonas
campestris) 		PF03377
(TAL_effector) 		4 PRO A 665
LEU A 629
THR A 649
ARG A 652
 None
 1.33A 1i2wA-4gjpA:
undetectable		 1i2wA-4gjpA:
21.17
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.
4gox POLYKETIDE SYNTHASE

(Synechococcus
sp. PCC 7002) 		PF13469
(Sulfotransfer_3) 		4 TYR A 248
LEU A 229
THR A  43
ARG A  46
 A3P  A 401 (-4.6A)
None
A3P  A 401 (-3.6A)
None
 1.36A 1i2wA-4goxA:
undetectable		 1i2wA-4goxA:
21.04
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.
4gri GLUTAMATE--TRNA
LIGASE

(Borreliella
burgdorferi) 		PF00749
(tRNA-synt_1c) 		4 TYR A 270
PRO A 272
LEU A  65
THR A 260
 None
 1.09A 1i2wA-4griA:
undetectable		 1i2wA-4griA:
21.44
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.
4hjj ANTI-IL12 ANTI-IL18
DFAB LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 TYR L 254
PRO L 128
LEU L 191
THR L 123
 None
 1.31A 1i2wA-4hjjL:
undetectable		 1i2wA-4hjjL:
23.88
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.
4kf5 FLUORESCENT PROTEIN
SFCHERRY+GFP10-11

(synthetic
construct) 		PF01353
(GFP) 		4 PRO C 152
LEU C 157
THR C 147
ARG C 260
 None
 0.94A 1i2wA-4kf5C:
undetectable		 1i2wA-4kf5C:
21.96
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.
4mrp ABC TRANSPORTER
RELATED PROTEIN

(Novosphingobium
aromaticivorans) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		4 TYR A  87
LEU A  54
THR A 309
ARG A 313
 None
 1.27A 1i2wA-4mrpA:
undetectable		 1i2wA-4mrpA:
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.
4oca UDP-4-AMINO-4-DEOXY-
L-ARABINOSE--OXOGLUT
ARATE
AMINOTRANSFERASE

(Salmonella
enterica) 		PF01041
(DegT_DnrJ_EryC1) 		4 TYR A 136
PRO A 140
LEU A 143
THR A  84
 None
 1.38A 1i2wA-4ocaA:
undetectable		 1i2wA-4ocaA:
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.
4oer NIKA PROTEIN

(Brucella suis) 		PF00496
(SBP_bac_5) 		4 TYR A  32
PRO A  34
LEU A  35
THR A  88
 None
 1.15A 1i2wA-4oerA:
undetectable		 1i2wA-4oerA:
22.22
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.
4pde PROTEIN FDHD

(Escherichia
coli) 		PF02634
(FdhD-NarQ) 		4 TYR A 269
PRO A 272
LEU A 275
ARG A 265
 None
None
None
GDP  A 300 (-3.0A)
 1.14A 1i2wA-4pdeA:
undetectable		 1i2wA-4pdeA:
21.47
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.
4rya ABC TRANSPORTER
SUBSTRATE BINDING
PROTEIN (SORBITOL)

(Agrobacterium
vitis) 		PF01547
(SBP_bac_1) 		4 TYR A 135
PRO A 133
LEU A 123
ARG A  65
 MTL  A 501 (-4.5A)
None
None
MTL  A 501 (-3.1A)
 1.36A 1i2wA-4ryaA:
undetectable		 1i2wA-4ryaA:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uek GALACTITOL-1-PHOSPHA
TE 5-DEHYDROGENASE

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 PRO A 136
LEU A 131
THR A 301
ARG A 304
 None
 1.23A 1i2wA-4uekA:
undetectable		 1i2wA-4uekA:
23.64
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.
4uxv SEPTATION RING
FORMATION REGULATOR
EZRA

(Bacillus
subtilis) 		PF06160
(EzrA) 		4 TYR A 211
PRO A 216
LEU A 219
THR A 272
 None
 1.36A 1i2wA-4uxvA:
undetectable		 1i2wA-4uxvA:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yeb FIBRONECTIN LEUCINE
RICH TRANSMEMBRANE
PROTEIN 3

(Mus musculus) 		PF13855
(LRR_8) 		4 TYR B  91
LEU B 102
THR B  62
ARG B  87
 None
 1.38A 1i2wA-4yebB:
undetectable		 1i2wA-4yebB:
21.85
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.
4z81 EGF FAMILY
DOMAIN-CONTAINING
PROTEIN

(Toxoplasma
gondii) 		PF02430
(AMA-1)
PF07974
(EGF_2) 		4 TYR A 150
PRO A 401
LEU A 402
THR A 394
 None
 1.27A 1i2wA-4z81A:
undetectable		 1i2wA-4z81A:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a55 ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		4 TYR A 393
PRO A 379
LEU A 397
THR A 424
 None
 1.38A 1i2wA-5a55A:
undetectable		 1i2wA-5a55A:
13.90
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.
5dld UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Burkholderia
vietnamiensis) 		PF02350
(Epimerase_2) 		4 PRO A 330
LEU A 332
THR A 311
ARG A 309
 None
None
None
ACT  A 505 (-4.1A)
 1.35A 1i2wA-5dldA:
undetectable		 1i2wA-5dldA:
23.21
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.
5do7 ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
5

(Homo sapiens) 		PF00005
(ABC_tran)
PF01061
(ABC2_membrane) 		4 TYR A 628
PRO A 632
LEU A 634
THR A 430
 None
 1.27A 1i2wA-5do7A:
undetectable		 1i2wA-5do7A:
18.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e2e BETA-LACTAMASE

(Yersinia
enterocolitica) 		PF13354
(Beta-lactamase2) 		4 TYR A  82
PRO A 144
LEU A 146
THR A 212
 None
 0.58A 1i2wA-5e2eA:
41.6		 1i2wA-5e2eA:
41.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e2e BETA-LACTAMASE

(Yersinia
enterocolitica) 		PF13354
(Beta-lactamase2) 		4 TYR A  82
PRO A 144
THR A 212
ARG A 251
 None
 1.31A 1i2wA-5e2eA:
41.6		 1i2wA-5e2eA:
41.43
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
LEU A 162
THR A 228
 CIT  A 303 (-4.1A)
None
None
CIT  A 303 (-3.6A)
 0.55A 1i2wA-5eoeA:
39.1		 1i2wA-5eoeA:
37.04
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.
5h3h ABHYDROLASE
DOMAIN-CONTAINING
PROTEIN

(Exiguobacterium
antarcticum) 		PF00561
(Abhydrolase_1)
PF08386
(Abhydrolase_4) 		4 TYR A  71
LEU A 205
THR A 128
ARG A 130
 None
 1.27A 1i2wA-5h3hA:
undetectable		 1i2wA-5h3hA:
22.57
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.
5i5d INNER MEMBRANE
PROTEIN YEJM

(Salmonella
enterica) 		PF00884
(Sulfatase)
PF11893
(DUF3413) 		4 PRO A 280
LEU A 282
THR A 293
ARG A 484
 None
 1.21A 1i2wA-5i5dA:
undetectable		 1i2wA-5i5dA:
19.82
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.
5lk4 MSCARLET

(Discosoma sp.) 		PF01353
(GFP) 		4 PRO A 153
LEU A 158
THR A 148
ARG A 221
 None
None
PGE  A 306 (-4.7A)
PO4  A 302 (-3.1A)
 1.07A 1i2wA-5lk4A:
undetectable		 1i2wA-5lk4A:
23.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mjv CAPSID SUBUNIT VP0

(Parechovirus A) 		PF00073
(Rhv) 		4 TYR C 154
PRO C 115
LEU C 272
ARG C 278
 None
 1.20A 1i2wA-5mjvC:
undetectable		 1i2wA-5mjvC:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mtz RIBONUCLEASE Z

(Saccharomyces
cerevisiae) 		PF13691
(Lactamase_B_4) 		4 TYR A 347
PRO A 350
THR A 473
ARG A 482
 None
 1.30A 1i2wA-5mtzA:
undetectable		 1i2wA-5mtzA:
15.35
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.
5oyp STRUCTURAL PROTEIN
VP2

(Sacbrood virus) 		no annotation 4 TYR B  83
PRO B  85
LEU B 112
ARG B 152
 None
 1.22A 1i2wA-5oypB:
undetectable		 1i2wA-5oypB:
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.
5vqi IMPORTIN SUBUNIT
ALPHA

(Neurospora
crassa) 		no annotation 4 TYR B 277
PRO B 244
LEU B 205
THR B 230
 None
 1.33A 1i2wA-5vqiB:
undetectable		 1i2wA-5vqiB:
19.96
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.
5wka BETA-GLUCOSIDASE

(metagenome) 		no annotation 4 TYR A 292
LEU A 353
THR A 215
ARG A  73
 GOL  A 501 (-4.3A)
None
None
None
 1.22A 1i2wA-5wkaA:
undetectable		 1i2wA-5wkaA:
15.75
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.
5wka BETA-GLUCOSIDASE

(metagenome) 		no annotation 4 TYR A 292
PRO A 294
LEU A 221
THR A 164
 GOL  A 501 (-4.3A)
None
None
None
 1.38A 1i2wA-5wkaA:
undetectable		 1i2wA-5wkaA:
15.75
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.
5wmm NRPS

(Micromonospora
sp. ML1) 		no annotation 4 TYR A 217
LEU A 285
THR A 301
ARG A 319
 None
None
None
CA  A1006 (-4.0A)
 1.30A 1i2wA-5wmmA:
undetectable		 1i2wA-5wmmA:
14.18
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.
5wyb PROBABLE ENOYL-COA
HYDRATASE/ISOMERASE

(Pseudomonas
aeruginosa) 		no annotation 4 PRO B 162
LEU B 164
THR B 184
ARG B 187
 None
 1.10A 1i2wA-5wybB:
undetectable		 1i2wA-5wybB:
17.15
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.
5xya -

(-) 		no annotation 4 TYR A1106
LEU A1101
THR A1027
ARG A1034
 None
 1.16A 1i2wA-5xyaA:
undetectable		 1i2wA-5xyaA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bu3 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 4 TYR A 105
PRO A 167
LEU A 169
THR A 235
 3GK  A 302 ( 3.5A)
3GK  A 301 (-4.1A)
None
3GK  A 301 (-3.7A)
 0.39A 1i2wA-6bu3A:
41.6		 1i2wA-6bu3A:
16.42
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.
6d5i PHOSPHOENOLPYRUVATE
CARBOXYKINASE (ATP)

(Escherichia
coli) 		no annotation 4 PRO A 403
LEU A 513
THR A 441
ARG A 449
 None
None
ATP  A 601 ( 4.1A)
ATP  A 601 (-3.1A)
 1.31A 1i2wA-6d5iA:
undetectable		 1i2wA-6d5iA:
16.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eh1 STRUCTURAL PROTEIN
VP2

(Sacbrood virus) 		no annotation 4 TYR B  83
PRO B  85
LEU B 112
ARG B 152
 None
 1.23A 1i2wA-6eh1B:
undetectable		 1i2wA-6eh1B:
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.
6erc PEROXINECTIN A

(Dictyostelium
discoideum) 		no annotation 4 PRO A 414
LEU A 418
THR A 317
ARG A 322
 None
None
HEM  A 604 (-3.3A)
HEM  A 604 (-2.4A)
 1.13A 1i2wA-6ercA:
undetectable		 1i2wA-6ercA:
18.10