SIMILAR PATTERNS OF AMINO ACIDS FOR 1YMX_B_CFXB1002_1

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
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
 0.56A 1ymxB-1alqA:
28.2		 1ymxB-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) 		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
 0.42A 1ymxB-1bsgA:
43.2		 1ymxB-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) 		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
 0.62A 1ymxB-1bueA:
41.2		 1ymxB-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) 		8 SER A  70
LYS A  73
SER A 130
GLU A 166
ASN A 170
LYS A 234
GLY A 236
SER A 237
 None
 0.75A 1ymxB-1bueA:
41.2		 1ymxB-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) 		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
 0.72A 1ymxB-1dy6A:
41.3		 1ymxB-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) 		8 SER A  70
LYS A  73
SER A 130
GLU A 166
ASN A 170
LYS A 234
GLY A 236
SER A 237
 None
 0.86A 1ymxB-1dy6A:
41.3		 1ymxB-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
LYS A 234
GLY A 239
 None
 0.82A 1ymxB-1dy6A:
41.3		 1ymxB-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) 		7 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
LYS A 234
GLY A 236
 SO4  A 500 (-3.1A)
None
SO4  A 500 (-2.6A)
None
None
SO4  A 500 (-3.2A)
SO4  A 500 (-3.5A)
 0.41A 1ymxB-1e25A:
32.8		 1ymxB-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
 0.52A 1ymxB-1g68A:
39.8		 1ymxB-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
LYS A 234
GLY A 236
SER A 237
GLY A 238
ASP A 240
 MES  A1000 (-3.1A)
None
MES  A1000 (-2.7A)
None
None
None
MES  A1000 (-2.9A)
MES  A1000 (-3.1A)
MES  A1000 (-2.7A)
None
None
 0.58A 1ymxB-1hzoA:
46.7		 1ymxB-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) 		9 SER A  70
LYS A  73
ASN A 104
SER A 130
ASN A 132
GLU A 166
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 ( 3.9A)
CFX  A1300 (-3.3A)
CFX  A1300 ( 4.1A)
 0.53A 1ymxB-1i2wA:
41.5		 1ymxB-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
LYS A 213
GLY A 215
SER A 216
GLY A 217
 NA  A 600 (-3.3A)
NA  A 600 (-3.1A)
NA  A 600 (-3.4A)
NA  A 600 ( 3.6A)
CL  A 601 (-3.0A)
None
 0.54A 1ymxB-1j9mA:
21.9		 1ymxB-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
LYS A 234
GLY A 236
SER A 237
 SO4  A1002 (-2.9A)
SO4  A1002 ( 4.9A)
SO4  A1002 (-3.1A)
None
None
None
SO4  A1002 (-3.6A)
SO4  A1002 (-3.2A)
SO4  A1002 (-2.7A)
 0.36A 1ymxB-1n4oA:
40.8		 1ymxB-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)
 0.70A 1ymxB-1n9bA:
35.7		 1ymxB-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
 0.94A 1ymxB-1pioA:
37.9		 1ymxB-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
 0.78A 1ymxB-1pioA:
37.9		 1ymxB-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) 		6 SER A  52
LYS A  55
SER A 299
ASN A 301
LYS A 411
GLY A 413
 None
 0.30A 1ymxB-1w5dA:
21.0		 1ymxB-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) 		7 SER A  56
LYS A  59
SER A 119
ASN A 121
LYS A 239
GLY A 241
ASP A 244
 SO4  A 464 (-3.4A)
None
SO4  A 464 (-3.4A)
None
SO4  A 464 (-3.5A)
SO4  A 464 ( 3.8A)
None
 0.81A 1ymxB-1xp4A:
20.7		 1ymxB-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
 0.36A 1ymxB-1zg4A:
38.5		 1ymxB-1zg4A:
38.46
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) 		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
 0.41A 1ymxB-2cc1A:
40.8		 1ymxB-2cc1A:
44.44
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 130
GLU A 166
ASN A 170
LYS A 234
GLY A 236
SER A 237
GLY A 238
ASP A 240
 None
 0.54A 1ymxB-2cc1A:
40.8		 1ymxB-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)
 0.31A 1ymxB-2exaA:
17.5		 1ymxB-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) 		6 SER B 460
LYS B 463
SER B 516
ASN B 518
LYS B 651
GLY B 653
 None
 0.45A 1ymxB-2fffB:
17.0		 1ymxB-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 1ymxB-2iwbA:
19.3		 1ymxB-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) 		6 SER A  61
LYS A  64
SER A 122
ASN A 124
LYS A 219
GLY A 221
 None
 0.27A 1ymxB-2j7vA:
33.6		 1ymxB-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) 		6 SER A 460
LYS A 463
SER A 516
ASN A 518
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 (-3.3A)
 0.63A 1ymxB-2jchA:
15.9		 1ymxB-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.
2wae PENICILLIN-BINDING
PROTEIN 2B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		6 SER A 386
LYS A 389
SER A 443
ASN A 445
LYS A 615
GLY A 617
 None
 0.44A 1ymxB-2waeA:
15.9		 1ymxB-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
LYS A 234
GLY A 236
SER A 237
GLY A 238
ASP A 240
 None
 0.48A 1ymxB-2wyxA:
46.1		 1ymxB-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.
2xfs ORF12

(Streptomyces
clavuligerus) 		PF13354
(Beta-lactamase2) 		6 LYS A 176
SER A 234
ASN A 236
LYS A 375
GLY A 377
SER A 378
 None
J01  A 600 (-3.4A)
None
J01  A 600 ( 4.4A)
J01  A 600 ( 3.8A)
J01  A 600 (-3.4A)
 0.49A 1ymxB-2xfsA:
22.6		 1ymxB-2xfsA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z2m PENICILLIN-BINDING
PROTEIN 2X

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		6 SER B 337
LYS B 340
SER B 395
ASN B 397
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 ( 3.9A)
CDS  B 901 ( 3.4A)
 0.44A 1ymxB-2z2mB:
16.7		 1ymxB-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.
2zc7 BETA-LACTAMASE ACT-1

(Klebsiella
pneumoniae) 		PF00144
(Beta-lactamase) 		6 SER A  64
LYS A  67
ASN A 152
LYS A 315
GLY A 317
SER A 318
 None
 0.63A 1ymxB-2zc7A:
14.8		 1ymxB-2zc7A:
23.73
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.
3a3i PENICILLIN-BINDING
PROTEIN 4

(Haemophilus
influenzae) 		PF02113
(Peptidase_S13) 		7 SER A  69
LYS A  72
SER A 310
ASN A 312
LYS A 420
GLY A 422
SER A 423
 AIX  A 501 (-1.3A)
AIX  A 501 ( 4.0A)
AIX  A 501 (-2.8A)
AIX  A 501 (-3.3A)
AIX  A 501 ( 3.8A)
AIX  A 501 (-3.4A)
AIX  A 501 (-2.5A)
 0.74A 1ymxB-3a3iA:
20.7		 1ymxB-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) 		10 SER A  70
LYS A  73
ASN A 104
SER A 130
ASN A 132
GLU A 166
ASN A 170
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 (-3.2A)
MER  A 301 (-3.0A)
None
 0.39A 1ymxB-3bfgA:
47.1		 1ymxB-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) 		10 SER A  73
LYS A  76
SER A 133
ASN A 135
GLU A 169
ASN A 173
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 (-3.1A)
SO4  A 301 (-3.3A)
None
None
 0.35A 1ymxB-3bydA:
47.3		 1ymxB-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) 		8 SER A 108
LYS A 111
SER A 169
ASN A 171
LYS A 257
GLY A 259
SER A 260
ASP A 262
 NO3  A   1 (-2.9A)
NO3  A   1 (-3.5A)
None
NO3  A   1 ( 4.7A)
None
None
EDO  A   7 ( 4.0A)
None
 0.66A 1ymxB-3cjmA:
27.4		 1ymxB-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
 0.62A 1ymxB-3dwkA:
18.1		 1ymxB-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) 		9 SER A  84
LYS A  87
SER A 142
GLU A 182
ASN A 186
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 ( 3.8A)
DWZ  A 400 (-3.3A)
None
None
 0.50A 1ymxB-3dwzA:
41.3		 1ymxB-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 1ymxB-3humA:
22.3		 1ymxB-3humA:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hum PENICILLIN-BINDING
PROTEIN 4

(Staphylococcus
aureus) 		PF00768
(Peptidase_S11)
PF09211
(DUF1958) 		7 SER A  75
LYS A  78
SER A 139
LYS A 259
GLY A 261
SER A 262
ASP A 264
 CEW  A 501 (-2.6A)
None
CEW  A 501 (-3.4A)
CEW  A 501 ( 4.4A)
CEW  A 501 (-3.1A)
CEW  A 501 (-2.9A)
None
 0.70A 1ymxB-3humA:
22.3		 1ymxB-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) 		8 SER A  85
LYS A  88
ASN A 145
GLU A 179
ASN A 183
LYS A 247
GLY A 249
GLY A 251
 EPE  A 305 (-3.4A)
None
None
None
None
EPE  A 305 (-3.1A)
EPE  A 305 (-3.4A)
None
 0.46A 1ymxB-3lezA:
41.6		 1ymxB-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
SER A 143
ASN A 145
GLU A 179
ASN A 183
LYS A 247
GLY A 249
GLY A 251
 EPE  A 305 (-3.4A)
EPE  A 305 (-2.5A)
None
None
None
EPE  A 305 (-3.1A)
EPE  A 305 (-3.4A)
None
 0.62A 1ymxB-3lezA:
41.6		 1ymxB-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)
 0.16A 1ymxB-3mfdA:
22.4		 1ymxB-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) 		7 SER A  61
LYS A  64
SER A 122
GLU A 158
ASN A 162
LYS A 226
GLY A 228
 SO4  A 288 (-3.1A)
None
SO4  A 288 (-2.7A)
None
None
SO4  A 288 (-3.5A)
SO4  A 288 (-3.3A)
 0.63A 1ymxB-3p09A:
39.7		 1ymxB-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)
 0.42A 1ymxB-3q7zA:
18.2		 1ymxB-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) 		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
 0.46A 1ymxB-3qhyA:
42.0		 1ymxB-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
 0.37A 1ymxB-3rjuA:
15.3		 1ymxB-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) 		6 SER A 336
LYS A 339
SER A 390
ASN A 392
LYS A 525
GLY A 527
 None
 0.58A 1ymxB-3ue3A:
17.1		 1ymxB-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)
 0.52A 1ymxB-3upnA:
18.2		 1ymxB-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) 		6 SER A  70
LYS A  73
SER A 251
ASN A 253
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)
TAU  A 501 ( 4.3A)
TAU  A 501 (-3.5A)
 0.27A 1ymxB-3v39A:
17.4		 1ymxB-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) 		6 SER A 392
LYS A 395
SER A 448
ASN A 450
LYS A 618
GLY A 620
 None
 0.65A 1ymxB-3vskA:
16.9		 1ymxB-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
 0.42A 1ymxB-3w4qA:
44.2		 1ymxB-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
 0.45A 1ymxB-3zdjA:
39.1		 1ymxB-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
LYS B 575
GLY B 577
SER B 578
 AIX  B 800 (-0.2A)
AIX  B 800 ( 3.1A)
AIX  B 800 (-2.4A)
AIX  B 800 (-2.7A)
AIX  B 800 ( 4.0A)
AIX  B 800 ( 3.7A)
AIX  B 800 (-3.0A)
 0.57A 1ymxB-3zg8B:
17.3		 1ymxB-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
LYS A 234
GLY A 236
SER A 237
GLY A 238
 None
 0.32A 1ymxB-3znyA:
47.8		 1ymxB-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) 		6 SER A  49
LYS A  52
SER A 298
ASN A 300
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 (-1.6A)
B07  A 500 (-3.2A)
 0.58A 1ymxB-3zvtA:
21.0		 1ymxB-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) 		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
 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)
None
 0.41A 1ymxB-4c6yA:
43.4		 1ymxB-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) 		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
 NA  A 294 ( 2.5A)
SO4  A 291 ( 4.6A)
SO4  A 291 (-2.8A)
None
None
None
SO4  A 291 (-3.4A)
NA  A 294 ( 3.2A)
None
 0.35A 1ymxB-4c75A:
42.8		 1ymxB-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) 		7 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
LYS A 234
GLY A 236
 None
 0.59A 1ymxB-4d2oA:
32.5		 1ymxB-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
 0.51A 1ymxB-4dxbA:
22.4		 1ymxB-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) 		7 SER A  70
LYS A  73
SER A 130
ASN A 132
ASN A 170
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 (-3.0A)
MER  A 401 (-3.6A)
 0.54A 1ymxB-4ev4A:
42.4		 1ymxB-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) 		7 SER A  49
LYS A  52
SER A 110
ASN A 112
LYS A 213
GLY A 215
SER A 216
 SO4  A 301 (-3.1A)
None
SO4  A 301 (-3.1A)
None
SO4  A 301 (-3.0A)
SO4  A 301 (-3.5A)
SO4  A 301 (-2.4A)
 0.69A 1ymxB-4ewfA:
32.1		 1ymxB-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)
 0.37A 1ymxB-4fsfA:
17.6		 1ymxB-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)
 0.35A 1ymxB-4hesA:
29.5		 1ymxB-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 SER A 182
LYS A 185
SER A 237
ASN A 239
LYS A 397
GLY A 399
 None
 0.59A 1ymxB-4mnrA:
17.5		 1ymxB-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.
4ovd PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Atopobium
parvulum) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		6 LYS A 308
SER A 361
ASN A 363
LYS A 500
GLY A 502
GLY A 504
 None
CA  A 601 ( 3.8A)
None
CA  A 601 ( 4.1A)
CA  A 601 ( 4.2A)
None
 0.81A 1ymxB-4ovdA:
17.4		 1ymxB-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) 		6 SER A 305
SER A 361
ASN A 363
LYS A 500
GLY A 502
GLY A 504
 CA  A 601 (-3.4A)
CA  A 601 ( 3.8A)
None
CA  A 601 ( 4.1A)
CA  A 601 ( 4.2A)
None
 0.81A 1ymxB-4ovdA:
17.4		 1ymxB-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)
 0.27A 1ymxB-4pprA:
20.0		 1ymxB-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) 		7 SER A 682
LYS A 685
SER A 737
ASN A 739
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 (-3.5A)
NXU  A1001 (-3.4A)
NXU  A1001 (-3.1A)
 0.61A 1ymxB-4ra7A:
16.4		 1ymxB-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 1ymxB-4ryeA:
21.6		 1ymxB-4ryeA:
25.86
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) 		9 SER A  71
LYS A  74
SER A 131
ASN A 133
GLU A 167
ASN A 171
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 (-3.4A)
ACT  A 301 (-3.3A)
None
 0.50A 1ymxB-4yfmA:
42.3		 1ymxB-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) 		6 SER A 400
LYS A 403
SER A 454
ASN A 456
LYS A 568
GLY A 570
 NHE  A 901 (-3.2A)
None
NHE  A 901 (-2.9A)
None
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
 0.46A 1ymxB-4ztkA:
16.7		 1ymxB-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
 0.53A 1ymxB-5aqaA:
37.5		 1ymxB-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.
5ctm BETA-LACTAMASE

(Bacillus
pumilus) 		PF00905
(Transpeptidase) 		6 SER A 101
SER A 149
LYS A 239
GLY A 241
SER A 242
GLY A 243
 KCX  A 104 (-2.2A)
FLC  A 301 (-2.5A)
FLC  A 301 (-3.0A)
FLC  A 301 (-3.2A)
FLC  A 301 (-2.8A)
None
 0.74A 1ymxB-5ctmA:
18.8		 1ymxB-5ctmA:
23.13
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.
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)
 0.54A 1ymxB-5cxwA:
18.1		 1ymxB-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
LYS A 211
GLY A 213
SER A 214
GLY A 215
ASP A 216
 None
 0.45A 1ymxB-5e2eA:
44.5		 1ymxB-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
 0.58A 1ymxB-5e2hA:
15.9		 1ymxB-5e2hA:
23.35
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.
5e2h BETA-LACTAMASE

(Mycolicibacterium
smegmatis) 		PF00144
(Beta-lactamase) 		6 SER A  58
LYS A  61
LYS A 307
GLY A 309
SER A 310
ASP A 312
 None
 0.90A 1ymxB-5e2hA:
15.9		 1ymxB-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) 		8 SER A  70
LYS A  73
SER A 131
ASN A 133
GLU A 167
ASN A 171
LYS A 235
GLY A 237
 ACT  A 311 (-3.2A)
None
ACT  A 311 (-3.0A)
None
None
None
ACT  A 311 (-3.3A)
ACT  A 311 (-3.2A)
 0.35A 1ymxB-5e43A:
42.8		 1ymxB-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
LYS A 227
GLY A 229
SER A 230
 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 (-3.5A)
CIT  A 303 (-3.5A)
CIT  A 303 (-2.5A)
 0.43A 1ymxB-5eoeA:
40.7		 1ymxB-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) 		7 SER A  64
LYS A  67
SER A 125
ASN A 127
GLU A 161
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 (-3.3A)
IM2  A 301 (-3.3A)
 0.57A 1ymxB-5f83A:
39.4		 1ymxB-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) 		6 SER A  64
LYS A  67
SER A 125
ASN A 127
LYS A 229
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 (-3.3A)
None
 0.80A 1ymxB-5f83A:
39.4		 1ymxB-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) 		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
 0.36A 1ymxB-5gl9A:
45.0		 1ymxB-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) 		6 SER A 510
LYS A 513
SER A 572
ASN A 574
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 ( 4.5A)
AZR  A 902 (-3.3A)
 0.44A 1ymxB-5hlbA:
18.3		 1ymxB-5hlbA:
17.97
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) 		7 SER A  70
LYS A  73
SER A 131
ASN A 133
GLU A 167
ASN A 171
GLY A 235
 SO4  A 301 (-2.7A)
None
SO4  A 301 (-2.6A)
None
None
ACT  A 310 (-4.0A)
SO4  A 301 (-3.4A)
 0.96A 1ymxB-5hw3A:
40.0		 1ymxB-5hw3A:
38.15
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.
5ll7 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 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
 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 (-3.6A)
6YV  A 301 ( 4.0A)
 0.68A 1ymxB-5ll7A:
43.1		 1ymxB-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.
5tfq BETA-LACTAMASE

(Bacteroides
cellulosilyticus) 		PF13354
(Beta-lactamase2) 		8 SER A  48
LYS A  51
SER A 112
ASN A 114
GLU A 148
LYS A 215
GLY A 217
SER A 218
 PO4  A 301 (-3.8A)
None
PO4  A 301 (-2.6A)
None
None
PO4  A 301 (-3.2A)
PO4  A 301 (-3.3A)
PO4  A 301 (-2.7A)
 0.45A 1ymxB-5tfqA:
33.2		 1ymxB-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) 		8 SER A  48
LYS A  51
SER A 112
GLU A 148
LYS A 215
GLY A 217
SER A 218
ASP A 220
 PO4  A 301 (-3.8A)
None
PO4  A 301 (-2.6A)
None
PO4  A 301 (-3.2A)
PO4  A 301 (-3.3A)
PO4  A 301 (-2.7A)
None
 0.90A 1ymxB-5tfqA:
33.2		 1ymxB-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
 0.54A 1ymxB-5tr7A:
22.0		 1ymxB-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
 0.49A 1ymxB-5troA:
17.3		 1ymxB-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)
 0.86A 1ymxB-5ty7A:
20.6		 1ymxB-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.
5ty7 PENICILLIN-BINDING
PROTEIN 4

(Staphylococcus
aureus) 		no annotation 7 SER A  75
LYS A  78
SER A 139
LYS A 259
GLY A 261
SER A 262
ASP A 264
 NFF  A 401 (-1.1A)
NFF  A 401 ( 4.4A)
NFF  A 401 (-3.4A)
NFF  A 401 ( 4.8A)
NFF  A 401 (-3.7A)
NFF  A 401 (-2.1A)
NFF  A 401 ( 4.3A)
 0.69A 1ymxB-5ty7A:
20.6		 1ymxB-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.
5u47 PENICILLIN BINDING
PROTEIN 2X

(Streptococcus
thermophilus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF03793
(PASTA) 		6 SER A 343
LYS A 346
SER A 402
ASN A 404
LYS A 553
GLY A 555
 None
 0.48A 1ymxB-5u47A:
17.2		 1ymxB-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)
 0.77A 1ymxB-5uy7A:
17.0		 1ymxB-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
GLY A 227
SER A 228
GLY A 229
ASP A 230
 None
None
None
None
None
EDO  A 304 ( 4.8A)
EDO  A 304 (-3.4A)
EDO  A 304 (-3.7A)
 0.80A 1ymxB-5vpqA:
41.2		 1ymxB-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
GLY A 227
SER A 228
GLY A 229
ASP A 230
 None
None
None
None
None
EDO  A 304 ( 4.8A)
EDO  A 304 (-3.4A)
EDO  A 304 (-3.7A)
 0.85A 1ymxB-5vpqA:
41.2		 1ymxB-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
LYS A 224
GLY A 226
SER A 227
 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 (-3.4A)
OP0  A 305 (-3.2A)
OP0  A 305 (-2.4A)
 0.60A 1ymxB-5x5gA:
34.8		 1ymxB-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) 		8 SER A  56
LYS A  59
SER A 120
GLU A 156
LYS A 224
GLY A 226
SER A 227
ASP A 229
 OP0  A 305 (-1.5A)
OP0  A 305 (-3.6A)
OP0  A 305 (-2.7A)
OP0  A 305 (-3.2A)
OP0  A 305 (-3.4A)
OP0  A 305 (-3.2A)
OP0  A 305 (-2.4A)
OP0  A 305 (-3.6A)
 0.97A 1ymxB-5x5gA:
34.8		 1ymxB-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 7 SER A  58
LYS A  61
SER A 118
ASN A 120
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)
None
CES  A 301 (-3.2A)
None
 0.81A 1ymxB-5zqeA:
22.2		 1ymxB-5zqeA:
undetectable
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
LYS A 234
GLY A 236
SER A 237
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 301 ( 4.1A)
3GK  A 301 (-3.4A)
3GK  A 301 ( 2.7A)
3GK  A 301 (-3.6A)
 0.37A 1ymxB-6bu3A:
49.6		 1ymxB-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.
6fm7 BETA-LACTAMASE

(Aeromonas
enteropelogenes) 		no annotation 6 SER A  62
LYS A  65
ASN A 150
LYS A 312
GLY A 314
SER A 315
 NXL  A 401 (-1.4A)
NXL  A 401 ( 3.9A)
NXL  A 401 (-3.5A)
NXL  A 401 (-3.6A)
NXL  A 401 (-3.3A)
NXL  A 401 (-3.4A)
 0.43A 1ymxB-6fm7A:
15.4		 1ymxB-6fm7A:
15.59