SIMILAR PATTERNS OF AMINO ACIDS FOR 1YMX_A_CFXA1001

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 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
ASN A 170
LYS A 234
GLY A 236
 None
 0.59A 1ymxA-1alqA:
28.2		 1ymxA-1alqA:
30.41
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) 		10 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
ASN A 170
THR A 216
LYS A 234
GLY A 236
GLY A 238
 None
 0.46A 1ymxA-1bsgA:
43.2		 1ymxA-1bsgA:
46.47
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) 		9 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
ASN A 170
THR A 216
LYS A 234
GLY A 236
 None
 0.63A 1ymxA-1bueA:
41.1		 1ymxA-1bueA:
49.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bue PROTEIN
(IMIPENEM-HYDROLYSIN
G BETA-LACTAMASE)

(Enterobacter
cloacae) 		PF13354
(Beta-lactamase2) 		6 SER A 130
ASN A 132
GLU A 166
ASN A 170
THR A 216
GLY A 239
 None
 0.70A 1ymxA-1bueA:
41.1		 1ymxA-1bueA:
49.06
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) 		9 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
ASN A 170
THR A 216
LYS A 234
GLY A 236
 None
 0.72A 1ymxA-1dy6A:
41.3		 1ymxA-1dy6A:
48.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dy6 CARBAPENEM-HYDROLYSI
NG BETA-LACTAMASE
SME-1

(Serratia
marcescens) 		PF13354
(Beta-lactamase2) 		6 SER A 130
ASN A 132
GLU A 166
ASN A 170
THR A 216
GLY A 239
 None
 0.70A 1ymxA-1dy6A:
41.3		 1ymxA-1dy6A:
48.33
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.
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)
 0.50A 1ymxA-1e25A:
32.9		 1ymxA-1e25A:
29.05
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) 		8 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
ASN A 170
GLY A 236
GLY A 238
 SO4  A 400 (-2.9A)
SO4  A 400 ( 4.7A)
SO4  A 400 (-2.7A)
None
None
None
SO4  A 400 (-3.0A)
None
 0.56A 1ymxA-1g68A:
39.6		 1ymxA-1g68A:
39.48
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) 		11 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
ASN A 170
THR A 216
LYS A 234
GLY A 236
GLY A 238
ASP A 240
 MES  A1000 (-3.1A)
None
MES  A1000 (-2.7A)
None
None
None
MES  A1000 (-3.7A)
MES  A1000 (-2.9A)
MES  A1000 (-3.1A)
None
None
 0.51A 1ymxA-1hzoA:
46.6		 1ymxA-1hzoA:
65.92
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) 		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
GLY A 238
 CFX  A1300 (-1.3A)
CFX  A1300 (-2.6A)
CFX  A1300 (-3.9A)
CFX  A1300 (-3.1A)
CFX  A1300 (-3.0A)
CFX  A1300 (-2.7A)
CFX  A1300 (-3.2A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.3A)
CFX  A1300 ( 4.1A)
 0.51A 1ymxA-1i2wA:
41.4		 1ymxA-1i2wA:
42.70
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.
1j9m DD-TRANSPEPTIDASE

(Streptomyces
sp. K15) 		PF00768
(Peptidase_S11) 		6 SER A  35
SER A  96
THR A 199
LYS A 213
GLY A 215
GLY A 217
 NA  A 600 (-3.3A)
NA  A 600 (-3.1A)
NA  A 600 ( 4.5A)
NA  A 600 (-3.4A)
NA  A 600 ( 3.6A)
None
 0.59A 1ymxA-1j9mA:
21.9		 1ymxA-1j9mA:
28.43
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) 		9 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
ASN A 170
THR A 216
LYS A 234
GLY A 236
 SO4  A1002 (-2.9A)
SO4  A1002 ( 4.9A)
SO4  A1002 (-3.1A)
None
None
None
SO4  A1002 ( 4.8A)
SO4  A1002 (-3.6A)
SO4  A1002 (-3.2A)
 0.44A 1ymxA-1n4oA:
40.5		 1ymxA-1n4oA:
47.27
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
ASN A 170
LYS A 234
GLY A 236
 EPE  A 400 (-3.7A)
None
EPE  A 400 (-2.5A)
None
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-3.1A)
 0.73A 1ymxA-1n9bA:
35.6		 1ymxA-1n9bA:
40.30
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) 		7 LYS A  73
SER A 130
ASN A 132
GLU A 166
ASN A 170
LYS A 234
GLY A 236
 None
 0.95A 1ymxA-1pioA:
37.8		 1ymxA-1pioA:
33.58
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) 		7 SER A  70
LYS A  73
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
 None
 0.79A 1ymxA-1pioA:
37.8		 1ymxA-1pioA:
33.58
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.
1w5d PENICILLIN-BINDING
PROTEIN

(Bacillus
subtilis) 		PF02113
(Peptidase_S13) 		7 SER A  52
LYS A  55
SER A 299
ASN A 301
THR A 394
LYS A 411
GLY A 413
 None
 0.34A 1ymxA-1w5dA:
21.0		 1ymxA-1w5dA:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Streptococcus
pneumoniae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		8 SER A  56
LYS A  59
SER A 119
ASN A 121
THR A 221
LYS A 239
GLY A 241
ASP A 244
 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)
None
 0.86A 1ymxA-1xp4A:
20.8		 1ymxA-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) 		9 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
ASN A 170
LYS A 234
GLY A 236
GLY A 238
 None
 0.41A 1ymxA-1zg4A:
38.5		 1ymxA-1zg4A:
38.46
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) 		6 LYS B 373
SER B 428
ASN B 430
THR B 543
LYS B 557
GLY B 559
 None
CL  B 704 (-3.4A)
None
CL  B 704 ( 4.8A)
None
CL  B 704 ( 4.0A)
 0.77A 1ymxA-2c6wB:
16.9		 1ymxA-2c6wB:
23.08
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.
2c6w PENICILLIN-BINDING
PROTEIN 1A

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		6 SER B 370
SER B 428
ASN B 430
THR B 543
LYS B 557
GLY B 559
 CL  B 704 (-3.5A)
CL  B 704 (-3.4A)
None
CL  B 704 ( 4.8A)
None
CL  B 704 ( 4.0A)
 0.57A 1ymxA-2c6wB:
16.9		 1ymxA-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) 		11 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
ASN A 170
THR A 216
LYS A 234
GLY A 236
GLY A 238
ASP A 240
 None
 0.44A 1ymxA-2cc1A:
40.6		 1ymxA-2cc1A:
44.44
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.
2exa PENICILLIN-BINDING
PROTEIN 4

(Escherichia
coli) 		PF02113
(Peptidase_S13) 		6 SER A  62
LYS A  65
SER A 306
ASN A 308
LYS A 417
GLY A 419
 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)
 0.33A 1ymxA-2exaA:
17.2		 1ymxA-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) 		7 SER B 460
LYS B 463
SER B 516
ASN B 518
THR B 629
LYS B 651
GLY B 653
 None
 0.64A 1ymxA-2fffB:
16.9		 1ymxA-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) 		7 SER A 391
LYS A 394
SER A 439
ASN A 441
LYS A 528
GLY A 530
GLY A 532
 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)
None
 0.42A 1ymxA-2iwbA:
19.3		 1ymxA-2iwbA:
22.10
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.
2j7v TLL2115 PROTEIN

(Synechococcus
elongatus) 		PF13354
(Beta-lactamase2) 		7 SER A  61
LYS A  64
SER A 122
ASN A 124
THR A 202
LYS A 219
GLY A 221
 None
 0.70A 1ymxA-2j7vA:
33.6		 1ymxA-2j7vA:
27.10
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.
2jch PENICILLIN-BINDING
PROTEIN 1B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		7 SER A 460
LYS A 463
SER A 516
ASN A 518
THR A 629
LYS A 651
GLY A 653
 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)
 0.74A 1ymxA-2jchA:
15.8		 1ymxA-2jchA:
17.78
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.
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)
 0.78A 1ymxA-2v2fF:
17.7		 1ymxA-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) 		7 SER A 386
LYS A 389
SER A 443
ASN A 445
THR A 600
LYS A 615
GLY A 617
 None
 0.53A 1ymxA-2waeA:
15.9		 1ymxA-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) 		11 SER A  70
LYS A  73
ASN A 104
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 236
GLY A 238
ASP A 240
 None
 0.48A 1ymxA-2wyxA:
46.1		 1ymxA-2wyxA:
83.98
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.
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)
 0.54A 1ymxA-2z2mB:
16.6		 1ymxA-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) 		7 SER A  69
LYS A  72
SER A 310
ASN A 312
THR A 401
LYS A 420
GLY A 422
 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)
 0.52A 1ymxA-3a3iA:
20.7		 1ymxA-3a3iA:
22.00
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) 		11 SER A  70
LYS A  73
ASN A 104
SER A 130
ASN A 132
GLU A 166
ASN A 170
THR A 216
LYS A 234
GLY A 236
ASP A 240
 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 (-2.6A)
MER  A 301 (-3.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.0A)
None
 0.39A 1ymxA-3bfgA:
46.9		 1ymxA-3bfgA:
75.29
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) 		11 SER A  73
LYS A  76
SER A 133
ASN A 135
GLU A 169
ASN A 173
THR A 219
LYS A 237
GLY A 239
GLY A 241
ASP A 242
 SO4  A 301 (-2.9A)
SO4  A 301 ( 4.9A)
SO4  A 301 (-2.8A)
None
None
None
SO4  A 301 ( 4.0A)
SO4  A 301 (-3.1A)
SO4  A 301 (-3.3A)
None
None
 0.38A 1ymxA-3bydA:
47.1		 1ymxA-3bydA:
74.53
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.
3cjm PUTATIVE
BETA-LACTAMASE

(Enterococcus
faecalis) 		PF13354
(Beta-lactamase2) 		7 SER A 108
LYS A 111
SER A 169
ASN A 171
LYS A 257
GLY A 259
ASP A 262
 NO3  A   1 (-2.9A)
NO3  A   1 (-3.5A)
None
NO3  A   1 ( 4.7A)
None
None
None
 0.57A 1ymxA-3cjmA:
27.5		 1ymxA-3cjmA:
23.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dwk PENICILLIN-BINDING
PROTEIN 2

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		7 SER A 398
LYS A 401
SER A 454
ASN A 456
LYS A 583
GLY A 585
GLY A 587
 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)
None
 0.65A 1ymxA-3dwkA:
18.1		 1ymxA-3dwkA:
18.79
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) 		10 SER A  84
LYS A  87
SER A 142
GLU A 182
ASN A 186
THR A 232
LYS A 250
GLY A 252
GLY A 254
ASP A 255
 DWZ  A 400 (-1.3A)
DWZ  A 400 (-2.6A)
DWZ  A 400 (-2.7A)
DWZ  A 400 (-2.8A)
DWZ  A 400 ( 4.0A)
DWZ  A 400 ( 4.5A)
DWZ  A 400 ( 3.8A)
DWZ  A 400 (-3.3A)
None
None
 0.58A 1ymxA-3dwzA:
41.2		 1ymxA-3dwzA:
45.35
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.
3hum PENICILLIN-BINDING
PROTEIN 4

(Staphylococcus
aureus) 		PF00768
(Peptidase_S11)
PF09211
(DUF1958) 		7 SER A  75
LYS A  78
SER A 139
ASN A 141
LYS A 259
GLY A 261
ASP A 264
 CEW  A 501 (-2.6A)
None
CEW  A 501 (-3.4A)
None
CEW  A 501 ( 4.4A)
CEW  A 501 (-3.1A)
None
 0.91A 1ymxA-3humA:
22.5		 1ymxA-3humA:
22.25
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) 		9 SER A  85
LYS A  88
ASN A 145
GLU A 179
ASN A 183
THR A 229
LYS A 247
GLY A 249
GLY A 251
 EPE  A 305 (-3.4A)
None
None
None
None
EPE  A 305 ( 3.9A)
EPE  A 305 (-3.1A)
EPE  A 305 (-3.4A)
None
 0.48A 1ymxA-3lezA:
41.6		 1ymxA-3lezA:
43.61
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
SER A 143
ASN A 145
GLU A 179
LYS A 247
GLY A 249
GLY A 251
 EPE  A 305 (-3.4A)
None
EPE  A 305 (-2.5A)
None
None
EPE  A 305 (-3.1A)
EPE  A 305 (-3.4A)
None
 0.63A 1ymxA-3lezA:
41.6		 1ymxA-3lezA:
43.61
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.
3mfd D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACB

(Bacillus
subtilis) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		6 SER A  60
LYS A  63
SER A 115
ASN A 117
LYS A 220
GLY A 222
 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)
 0.18A 1ymxA-3mfdA:
22.4		 1ymxA-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) 		8 SER A  61
LYS A  64
SER A 122
GLU A 158
ASN A 162
THR A 208
LYS A 226
GLY A 228
 SO4  A 288 (-3.1A)
None
SO4  A 288 (-2.7A)
None
None
SO4  A 288 ( 4.8A)
SO4  A 288 (-3.5A)
SO4  A 288 (-3.3A)
 0.67A 1ymxA-3p09A:
39.5		 1ymxA-3p09A:
31.12
Potential target for repurposing, i.e. matched protein structure has less than 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) 		7 SER A 389
LYS A 392
SER A 437
ASN A 439
LYS A 526
GLY A 528
GLY A 530
 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)
BOU  A 584 ( 3.9A)
 0.46A 1ymxA-3q7zA:
18.2		 1ymxA-3q7zA:
20.35
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 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
ASN A 170
THR A 216
LYS A 234
GLY A 236
GLY A 238
 None
 0.50A 1ymxA-3qhyA:
41.9		 1ymxA-3qhyA:
43.38
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.
3rju BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE

(Yersinia pestis) 		PF00144
(Beta-lactamase) 		6 SER A  59
LYS A  62
ASN A 158
LYS A 299
GLY A 301
GLY A 303
 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)
None
 0.41A 1ymxA-3rjuA:
15.2		 1ymxA-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) 		7 SER A 336
LYS A 339
SER A 390
ASN A 392
THR A 511
LYS A 525
GLY A 527
 None
 0.83A 1ymxA-3ue3A:
17.1		 1ymxA-3ue3A:
18.71
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.
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)
 0.58A 1ymxA-3upnA:
18.0		 1ymxA-3upnA:
23.79
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.
3v39 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Bdellovibrio
bacteriovorus) 		PF02113
(Peptidase_S13) 		7 SER A  70
LYS A  73
SER A 251
ASN A 253
THR A 342
LYS A 357
GLY A 359
 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)
 0.29A 1ymxA-3v39A:
17.5		 1ymxA-3v39A:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vsk PENICILLIN-BINDING
PROTEIN 3

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		7 SER A 392
LYS A 395
SER A 448
ASN A 450
THR A 603
LYS A 618
GLY A 620
 None
 0.66A 1ymxA-3vskA:
16.7		 1ymxA-3vskA:
18.27
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) 		10 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
ASN A 170
LYS A 234
GLY A 236
GLY A 238
ASP A 240
 None
 0.46A 1ymxA-3w4qA:
44.0		 1ymxA-3w4qA:
57.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zdj ENCA BETA-LACTAMASE

(synthetic
construct) 		PF13354
(Beta-lactamase2) 		9 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
ASN A 170
LYS A 234
GLY A 236
GLY A 238
 SO4  A1291 (-3.4A)
None
SO4  A1291 (-3.1A)
None
None
None
SO4  A1291 (-3.3A)
SO4  A1291 (-3.3A)
None
 0.47A 1ymxA-3zdjA:
38.9		 1ymxA-3zdjA:
44.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zg8 PENICILLIN-BINDING
PROTEIN 4

(Listeria
monocytogenes) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		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)
 0.66A 1ymxA-3zg8B:
17.4		 1ymxA-3zg8B:
19.34
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) 		10 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
ASN A 170
THR A 216
LYS A 234
GLY A 236
GLY A 238
 None
 0.31A 1ymxA-3znyA:
47.7		 1ymxA-3znyA:
82.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp. R39) 		PF02113
(Peptidase_S13) 		7 SER A  49
LYS A  52
SER A 298
ASN A 300
THR A 393
LYS A 410
GLY A 412
 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)
 0.62A 1ymxA-3zvtA:
20.8		 1ymxA-3zvtA:
23.16
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) 		10 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
ASN A 170
THR A 216
LYS A 234
GLY A 236
GLY A 238
 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 ( 4.3A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-2.7A)
None
 0.45A 1ymxA-4c6yA:
43.5		 1ymxA-4c6yA:
58.56
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) 		10 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
ASN A 170
THR A 216
LYS A 234
GLY A 236
GLY A 238
 NA  A 294 ( 2.5A)
SO4  A 291 ( 4.6A)
SO4  A 291 (-2.8A)
None
None
None
SO4  A 291 ( 4.1A)
SO4  A 291 (-3.4A)
NA  A 294 ( 3.2A)
None
 0.41A 1ymxA-4c75A:
42.7		 1ymxA-4c75A:
57.03
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) 		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
 0.61A 1ymxA-4d2oA:
32.6		 1ymxA-4d2oA:
31.94
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.
4dxb MALTOSE-BINDING
PERIPLASMIC PROTEIN,
BETA-LACTAMASE TEM
CHIMERA

(Escherichia
coli) 		PF01547
(SBP_bac_1)
PF13354
(Beta-lactamase2) 		6 SER A 426
LYS A 429
SER A 486
ASN A 488
GLU A 522
ASN A 526
 None
 0.53A 1ymxA-4dxbA:
22.5		 1ymxA-4dxbA:
19.93
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) 		8 SER A  70
LYS A  73
SER A 130
ASN A 132
ASN A 170
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 (-2.9A)
MER  A 401 ( 3.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.6A)
 0.56A 1ymxA-4ev4A:
42.4		 1ymxA-4ev4A:
48.40
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.
4ewf BETA-LACTAMASE

(Sphaerobacter
thermophilus) 		PF13354
(Beta-lactamase2) 		6 SER A  49
LYS A  52
SER A 110
ASN A 112
LYS A 213
GLY A 215
 SO4  A 301 (-3.1A)
None
SO4  A 301 (-3.1A)
None
SO4  A 301 (-3.0A)
SO4  A 301 (-3.5A)
 0.41A 1ymxA-4ewfA:
31.9		 1ymxA-4ewfA:
27.44
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.
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)
 0.39A 1ymxA-4fsfA:
17.5		 1ymxA-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 SER A  56
LYS A  59
SER A 117
ASN A 119
LYS A 217
GLY A 219
 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)
 0.37A 1ymxA-4hesA:
29.4		 1ymxA-4hesA:
25.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mnr PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Eggerthella
lenta) 		PF00905
(Transpeptidase) 		6 LYS A 185
SER A 237
ASN A 239
THR A 383
LYS A 397
GLY A 399
 None
 0.57A 1ymxA-4mnrA:
17.4		 1ymxA-4mnrA:
23.28
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.
4mnr PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Eggerthella
lenta) 		PF00905
(Transpeptidase) 		6 SER A 182
SER A 237
ASN A 239
THR A 383
LYS A 397
GLY A 399
 None
 0.55A 1ymxA-4mnrA:
17.4		 1ymxA-4mnrA:
23.28
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.
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)
 0.62A 1ymxA-4oonA:
16.7		 1ymxA-4oonA:
16.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ovd PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Atopobium
parvulum) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		7 LYS A 308
SER A 361
ASN A 363
THR A 486
LYS A 500
GLY A 502
GLY A 504
 None
CA  A 601 ( 3.8A)
None
CA  A 601 ( 4.7A)
CA  A 601 ( 4.1A)
CA  A 601 ( 4.2A)
None
 0.82A 1ymxA-4ovdA:
17.1		 1ymxA-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.
4ovd PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Atopobium
parvulum) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		7 SER A 305
SER A 361
ASN A 363
THR A 486
LYS A 500
GLY A 502
GLY A 504
 CA  A 601 (-3.4A)
CA  A 601 ( 3.8A)
None
CA  A 601 ( 4.7A)
CA  A 601 ( 4.1A)
CA  A 601 ( 4.2A)
None
 0.82A 1ymxA-4ovdA:
17.1		 1ymxA-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) 		6 SER A 121
LYS A 124
SER A 176
ASN A 178
LYS A 282
GLY A 284
 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)
 0.28A 1ymxA-4pprA:
20.1		 1ymxA-4pprA:
23.14
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.
4ra7 PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Atopobium
parvulum) 		PF00905
(Transpeptidase) 		8 SER A 682
LYS A 685
SER A 737
ASN A 739
THR A 876
LYS A 890
GLY A 892
ASP A 895
 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)
NXU  A1001 (-3.1A)
 0.70A 1ymxA-4ra7A:
16.8		 1ymxA-4ra7A:
22.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Mycobacterium
tuberculosis) 		PF00768
(Peptidase_S11) 		6 SER A  69
LYS A  72
SER A 124
ASN A 126
LYS A 230
GLY A 232
 None
 0.21A 1ymxA-4ryeA:
21.9		 1ymxA-4ryeA:
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.
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
 0.76A 1ymxA-4u3tA:
16.4		 1ymxA-4u3tA:
24.92
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) 		10 SER A  71
LYS A  74
SER A 131
ASN A 133
GLU A 167
ASN A 171
THR A 215
LYS A 233
GLY A 235
GLY A 237
 ACT  A 301 (-3.5A)
ACT  A 301 ( 4.8A)
ACT  A 301 (-2.9A)
None
None
None
ACT  A 301 (-3.7A)
ACT  A 301 (-3.4A)
ACT  A 301 (-3.3A)
None
 0.56A 1ymxA-4yfmA:
42.0		 1ymxA-4yfmA:
44.15
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.
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)
 0.47A 1ymxA-4ztkA:
16.5		 1ymxA-4ztkA:
25.28
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.
5aqa OFF7_DB04V3

(synthetic
construct) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13354
(Beta-lactamase2) 		9 SER A 200
LYS A 203
SER A 260
ASN A 262
GLU A 296
ASN A 300
LYS A 364
GLY A 366
GLY A 368
 None
 0.54A 1ymxA-5aqaA:
37.5		 1ymxA-5aqaA:
27.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cer BD0816

(Bdellovibrio
bacteriovorus) 		PF02113
(Peptidase_S13) 		6 LYS A  61
SER A 239
ASN A 241
THR A 330
LYS A 345
GLY A 347
 None
 0.35A 1ymxA-5cerA:
18.1		 1ymxA-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) 		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)
 0.60A 1ymxA-5cxwA:
18.2		 1ymxA-5cxwA:
23.46
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) 		11 SER A  47
LYS A  50
SER A 107
ASN A 109
GLU A 143
ASN A 147
THR A 193
LYS A 211
GLY A 213
GLY A 215
ASP A 216
 None
 0.48A 1ymxA-5e2eA:
44.3		 1ymxA-5e2eA:
58.58
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.
5e2h BETA-LACTAMASE

(Mycolicibacterium
smegmatis) 		PF00144
(Beta-lactamase) 		6 SER A  58
LYS A  61
ASN A 146
LYS A 307
GLY A 309
ASP A 312
 None
None
CL  A 402 ( 4.8A)
None
None
None
 0.59A 1ymxA-5e2hA:
15.9		 1ymxA-5e2hA:
23.35
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) 		9 SER A  70
LYS A  73
SER A 131
ASN A 133
GLU A 167
ASN A 171
THR A 217
LYS A 235
GLY A 237
 ACT  A 311 (-3.2A)
None
ACT  A 311 (-3.0A)
None
None
None
ACT  A 311 ( 3.9A)
ACT  A 311 (-3.3A)
ACT  A 311 (-3.2A)
 0.42A 1ymxA-5e43A:
42.6		 1ymxA-5e43A:
41.41
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) 		9 SER A  62
LYS A  65
SER A 123
ASN A 125
GLU A 159
ASN A 163
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
None
CIT  A 303 (-3.2A)
CIT  A 303 (-3.5A)
CIT  A 303 (-3.5A)
 0.40A 1ymxA-5eoeA:
40.6		 1ymxA-5eoeA:
41.79
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)
 0.59A 1ymxA-5f83A:
39.6		 1ymxA-5f83A:
37.64
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
THR A 211
LYS A 229
GLY A 231
ASP A 166
 IM2  A 301 (-1.4A)
IM2  A 301 ( 3.9A)
IM2  A 301 (-2.7A)
IM2  A 301 (-3.2A)
IM2  A 301 (-4.1A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.3A)
None
 1.16A 1ymxA-5f83A:
39.6		 1ymxA-5f83A:
37.64
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) 		11 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
ASN A 170
THR A 216
LYS A 234
GLY A 236
GLY A 238
ASP A 240
 None
 0.42A 1ymxA-5gl9A:
45.1		 1ymxA-5gl9A:
57.46
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.
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 1ymxA-5hlbA:
18.3		 1ymxA-5hlbA:
17.97
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.
5ll7 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 9 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
ASN A 170
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 (-2.9A)
6YV  A 301 ( 4.2A)
6YV  A 301 (-3.6A)
6YV  A 301 ( 4.0A)
 0.71A 1ymxA-5ll7A:
42.9		 1ymxA-5ll7A:
17.00
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.
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
 0.67A 1ymxA-5lp4A:
16.4		 1ymxA-5lp4A:
18.26
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)
 0.53A 1ymxA-5tfqA:
33.2		 1ymxA-5tfqA:
26.69
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.
5tfq BETA-LACTAMASE

(Bacteroides
cellulosilyticus) 		PF13354
(Beta-lactamase2) 		6 SER A  48
LYS A  51
SER A 112
LYS A 215
GLY A 217
ASP A 220
 PO4  A 301 (-3.8A)
None
PO4  A 301 (-2.6A)
PO4  A 301 (-3.2A)
PO4  A 301 (-3.3A)
None
 0.75A 1ymxA-5tfqA:
33.2		 1ymxA-5tfqA:
26.69
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.
5tr7 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Vibrio cholerae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		6 SER A  66
LYS A  69
SER A 129
ASN A 131
LYS A 232
GLY A 234
 None
 0.55A 1ymxA-5tr7A:
22.1		 1ymxA-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) 		6 SER A 314
LYS A 317
SER A 368
ASN A 370
LYS A 513
GLY A 515
 None
 0.52A 1ymxA-5troA:
17.1		 1ymxA-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 7 SER A  75
LYS A  78
SER A 139
ASN A 141
LYS A 259
GLY A 261
ASP A 264
 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)
NFF  A 401 ( 4.3A)
 0.87A 1ymxA-5ty7A:
20.8		 1ymxA-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) 		6 LYS A 455
SER A 510
ASN A 512
THR A 712
LYS A 728
GLY A 730
 None
 0.75A 1ymxA-5u2gA:
17.4		 1ymxA-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) 		7 SER A 343
LYS A 346
SER A 402
ASN A 404
THR A 532
LYS A 553
GLY A 555
 None
 0.58A 1ymxA-5u47A:
17.0		 1ymxA-5u47A:
17.23
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.
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)
 0.79A 1ymxA-5uy7A:
17.0		 1ymxA-5uy7A:
19.82
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) 		8 SER A  58
SER A 119
ASN A 121
ASN A 159
THR A 206
GLY A 227
GLY A 229
ASP A 230
 None
None
None
None
None
None
EDO  A 304 (-3.4A)
EDO  A 304 (-3.7A)
 0.94A 1ymxA-5vpqA:
41.4		 1ymxA-5vpqA:
48.75
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) 		8 SER A 119
ASN A 121
GLU A 155
ASN A 159
THR A 206
GLY A 227
GLY A 229
ASP A 230
 None
None
None
None
None
None
EDO  A 304 (-3.4A)
EDO  A 304 (-3.7A)
 0.92A 1ymxA-5vpqA:
41.4		 1ymxA-5vpqA:
48.75
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.
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)
 0.55A 1ymxA-5x5gA:
34.8		 1ymxA-5x5gA:
26.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x5g BETA-LACTAMASE

(Serratia
marcescens) 		PF13354
(Beta-lactamase2) 		6 SER A  56
LYS A  59
SER A 120
LYS A 224
GLY A 226
ASP A 229
 OP0  A 305 (-1.5A)
OP0  A 305 (-3.6A)
OP0  A 305 (-2.7A)
OP0  A 305 (-3.4A)
OP0  A 305 (-3.2A)
OP0  A 305 (-3.6A)
 0.70A 1ymxA-5x5gA:
34.8		 1ymxA-5x5gA:
26.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zqe -

(-) 		no annotation 8 SER A  58
LYS A  61
SER A 118
ASN A 120
THR A 208
LYS A 222
GLY A 224
ASP A 227
 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)
None
 0.89A 1ymxA-5zqeA:
22.1		 1ymxA-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) 		6 LYS A  71
SER A 125
ASN A 127
THR A 217
LYS A 232
GLY A 234
 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)
 0.38A 1ymxA-6aziA:
21.5		 1ymxA-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 11 SER A  70
LYS A  73
ASN A 104
SER A 130
ASN A 132
GLU A 166
ASN A 170
THR A 216
LYS A 234
GLY A 236
GLY A 238
 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 301 (-3.9A)
3GK  A 302 ( 4.3A)
3GK  A 301 ( 4.1A)
3GK  A 301 (-3.4A)
3GK  A 301 (-3.6A)
 0.35A 1ymxA-6bu3A:
49.3		 1ymxA-6bu3A:
98.75
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.
1akc ASPARTATE
AMINOTRANSFERASE

(Gallus gallus) 		PF00155
(Aminotran_1_2) 		4 TYR A 256
PRO A 299
THR A 271
SER A 111
 None
 1.47A 1ymxA-1akcA:
0.0		 1ymxA-1akcA:
21.01
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.
1fn4 MONOCLONAL ANTIBODY
AGAINST
ACETYLCHOLINE
RECEPTOR

(Rattus
norvegicus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 TYR B  97
PRO B 100
THR A  51
SER A  53
 None
 0.93A 1ymxA-1fn4B:
undetectable		 1ymxA-1fn4B:
25.67
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.
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 1ymxA-1jftA:
undetectable		 1ymxA-1jftA:
21.25
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) 		4 CYH A  69
PRO A 167
THR A 235
SER A 237
 None
None
SO4  A1002 (-3.6A)
SO4  A1002 (-2.7A)
 0.57A 1ymxA-1n4oA:
40.5		 1ymxA-1n4oA:
47.27
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.
1uf2 OUTER CAPSID PROTEIN
P8

(Rice dwarf
virus) 		no annotation 4 TYR P 360
PRO P 364
THR P 353
SER P 355
 None
 1.41A 1ymxA-1uf2P:
undetectable		 1ymxA-1uf2P:
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.
2csd TOPOISOMERASE V

(Methanopyrus
kandleri) 		PF13412
(HTH_24)
PF14520
(HHH_5) 		4 CYH A  68
PRO A  72
THR A  63
SER A  65
 None
 1.24A 1ymxA-2csdA:
undetectable		 1ymxA-2csdA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gv8 MONOOXYGENASE

(Schizosaccharomyces
pombe) 		PF00743
(FMO-like)
PF13450
(NAD_binding_8) 		4 CYH A 287
TYR A 176
PRO A 179
SER A 223
 None
NDP  A 501 ( 3.8A)
None
NDP  A 501 (-2.8A)
 1.33A 1ymxA-2gv8A:
undetectable		 1ymxA-2gv8A:
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.
2kyz HEAVY METAL BINDING
PROTEIN

(Thermotoga
maritima) 		PF00403
(HMA) 		4 CYH A  15
TYR A   6
PRO A  60
SER A  11
 None
 1.07A 1ymxA-2kyzA:
0.4		 1ymxA-2kyzA:
12.65
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.
2rc5 FERREDOXIN-NADP
REDUCTASE

(Leptospira
interrogans) 		PF00175
(NAD_binding_1) 		4 TYR A  96
PRO A 179
THR A 150
SER A 153
 FAD  A 415 (-4.0A)
None
None
None
 1.33A 1ymxA-2rc5A:
undetectable		 1ymxA-2rc5A:
21.05
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 235
SER A 237
 None
 0.77A 1ymxA-2wyxA:
46.1		 1ymxA-2wyxA:
83.98
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.
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
 1.46A 1ymxA-3c2uA:
undetectable		 1ymxA-3c2uA:
20.33
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.
3it4 ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ BETA CHAIN

(Mycobacterium
tuberculosis) 		PF01960
(ArgJ) 		4 CYH B 352
PRO B 359
THR B 374
SER B 343
 None
 1.10A 1ymxA-3it4B:
undetectable		 1ymxA-3it4B:
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.
3k04 POTASSIUM CHANNEL
PROTEIN NAK

(Bacillus cereus) 		PF07885
(Ion_trans_2) 		4 TYR A  42
PRO A  50
THR A  34
SER A  37
 None
None
MPD  A 506 ( 4.3A)
MPD  A 506 (-2.5A)
 1.37A 1ymxA-3k04A:
undetectable		 1ymxA-3k04A:
17.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m7g TOPOISOMERASE V

(Methanopyrus
kandleri) 		PF13404
(HTH_AsnC-type) 		4 CYH A  68
PRO A  72
THR A  63
SER A  65
 None
 1.19A 1ymxA-3m7gA:
undetectable		 1ymxA-3m7gA:
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.
3st1 NECROSIS-AND
ETHYLENE-INDUCING
PROTEIN

(Moniliophthora
perniciosa) 		PF05630
(NPP1) 		4 TYR A 101
PRO A 214
THR A  97
SER A  90
 None
 1.27A 1ymxA-3st1A:
undetectable		 1ymxA-3st1A:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uof BACTERIOFERRITIN

(Mycobacterium
tuberculosis) 		PF00210
(Ferritin) 		4 CYH A 108
PRO A   5
THR A 114
SER A 116
 None
 1.32A 1ymxA-3uofA:
undetectable		 1ymxA-3uofA:
21.19
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 235
SER A 237
 None
 0.56A 1ymxA-3znyA:
47.7		 1ymxA-3znyA:
82.13
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)
 0.54A 1ymxA-4c75A:
42.7		 1ymxA-4c75A:
57.03
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.
4e4y SHORT CHAIN
DEHYDROGENASE FAMILY
PROTEIN

(Francisella
tularensis) 		PF13561
(adh_short_C2) 		4 CYH A 127
TYR A 238
THR A 138
SER A 124
 None
None
None
GOL  A 306 (-2.7A)
 1.42A 1ymxA-4e4yA:
undetectable		 1ymxA-4e4yA:
22.30
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.
4mgu STRUCTURAL PROTEIN
VP2

(Orthopteran
ambidensovirus
1) 		PF02336
(Denso_VP4) 		4 TYR A 288
PRO A 335
THR A 400
SER A 326
 None
 1.42A 1ymxA-4mguA:
undetectable		 1ymxA-4mguA:
20.37
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.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		4 TYR A 374
PRO A 128
THR A 119
SER A 122
 None
 1.49A 1ymxA-4ph9A:
undetectable		 1ymxA-4ph9A:
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.
4xe3 CYTOCHROME P-450

(Streptomyces
antibioticus) 		PF00067
(p450) 		4 TYR A  17
PRO A 316
THR A  56
SER A  41
 None
 1.40A 1ymxA-4xe3A:
undetectable		 1ymxA-4xe3A:
23.60
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.
5cxp POSSIBLE XYLAN
DEGRADATION ENZYME
(GLYCOSYL HYDROLASE
FAMILY 30-LIKE
DOMAIN AND RICIN
B-LIKE DOMAIN)

(Clostridium
acetobutylicum) 		PF02055
(Glyco_hydro_30) 		4 TYR A 115
PRO A 109
THR A  99
SER A  92
 None
 1.39A 1ymxA-5cxpA:
undetectable		 1ymxA-5cxpA:
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) 		5 CYH A  46
TYR A  82
PRO A 144
THR A 212
SER A 214
 None
 0.62A 1ymxA-5e2eA:
44.3		 1ymxA-5e2eA:
58.58
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 228
SER A 230
 CIT  A 303 (-4.1A)
None
CIT  A 303 (-3.6A)
CIT  A 303 (-2.5A)
 0.52A 1ymxA-5eoeA:
40.6		 1ymxA-5eoeA:
41.79
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.
5fq6 SUSC/RAGA FAMILY
TONB-LINKED OUTER
MEMBRANE PROTEIN

(Bacteroides
thetaiotaomicron) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 TYR B 369
PRO B 356
THR B 337
SER B 333
 None
 1.27A 1ymxA-5fq6B:
undetectable		 1ymxA-5fq6B:
15.02
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.
5hm5 TOPOISOMERASE V

(Methanopyrus
kandleri) 		PF13412
(HTH_24)
PF14520
(HHH_5) 		4 CYH A  68
PRO A  72
THR A  63
SER A  65
 None
 1.20A 1ymxA-5hm5A:
undetectable		 1ymxA-5hm5A:
15.27
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.
5ikr PROSTAGLANDIN G/H
SYNTHASE 2

(Homo sapiens) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		4 TYR A 373
PRO A 127
THR A 118
SER A 121
 None
 1.45A 1ymxA-5ikrA:
undetectable		 1ymxA-5ikrA:
17.77
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.
5jxk ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE

(Porphyromonas
endodontalis) 		PF10459
(Peptidase_S46) 		4 CYH A 706
TYR A 101
PRO A 204
SER A 108
 None
 1.14A 1ymxA-5jxkA:
undetectable		 1ymxA-5jxkA:
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.
5m23 WD REPEAT-CONTAINING
PROTEIN 5

(Homo sapiens) 		PF00400
(WD40) 		4 CYH A 195
TYR A 191
PRO A 215
SER A 189
 None
 1.38A 1ymxA-5m23A:
undetectable		 1ymxA-5m23A:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oc1 ARYL-ALCOHOL OXIDASE

(Pleurotus
eryngii) 		no annotation 4 TYR A  63
PRO A 440
THR A 277
SER A 274
 None
None
None
GOL  A 605 (-3.1A)
 1.49A 1ymxA-5oc1A:
undetectable		 1ymxA-5oc1A:
19.90
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 235
SER A 237
 None
3GK  A 302 ( 3.5A)
3GK  A 301 (-4.1A)
3GK  A 301 (-3.7A)
3GK  A 301 ( 2.7A)
 0.45A 1ymxA-6bu3A:
49.3		 1ymxA-6bu3A:
98.75
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.
6fb3 TENEURIN-2

(Gallus gallus) 		no annotation 4 CYH A2545
PRO A2098
THR A2540
SER A2542
 None
 1.47A 1ymxA-6fb3A:
undetectable		 1ymxA-6fb3A:
18.18