SIMILAR PATTERNS OF AMINO ACIDS FOR 1I2W_B_CFXB2300

List of similar pattern of amino acids derived from ASSAM search

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

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

(Staphylococcus
aureus) 		PF13354
(Beta-lactamase2) 		6 ALA A  69
SER A  70
LYS A  73
ASN A 132
GLU A 166
ALA A 238
 None
 1.37A 1i2wB-1alqA:
24.4		 1i2wB-1alqA:
35.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1alq CP254 BETA-LACTAMASE

(Staphylococcus
aureus) 		PF13354
(Beta-lactamase2) 		8 ALA A  69
SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
GLY A 236
ARG A 244
 None
 0.39A 1i2wB-1alqA:
24.4		 1i2wB-1alqA:
35.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bsg BETA LACTAMASE

(Streptomyces
albus) 		PF13354
(Beta-lactamase2) 		8 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
THR A 216
GLY A 236
ALA A 237
 None
 0.42A 1i2wB-1bsgA:
41.5		 1i2wB-1bsgA:
41.01
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) 		6 SER A  70
LYS A  73
SER A 130
ASN A 132
GLY A 236
ARG A 220
 None
 0.88A 1i2wB-1bsgA:
41.5		 1i2wB-1bsgA:
41.01
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) 		6 SER A 130
ASN A 132
GLU A 166
THR A 216
ALA A 237
ARG A 274
 None
 1.06A 1i2wB-1bsgA:
41.5		 1i2wB-1bsgA:
41.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bue PROTEIN
(IMIPENEM-HYDROLYSIN
G BETA-LACTAMASE)

(Enterobacter
cloacae) 		PF13354
(Beta-lactamase2) 		7 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
THR A 216
GLY A 236
 None
 0.37A 1i2wB-1bueA:
40.4		 1i2wB-1bueA:
41.34
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  70
LYS A  73
SER A 130
ASN A 132
GLY A 236
ARG A 220
 None
 1.20A 1i2wB-1bueA:
40.4		 1i2wB-1bueA:
41.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dy6 CARBAPENEM-HYDROLYSI
NG BETA-LACTAMASE
SME-1

(Serratia
marcescens) 		PF13354
(Beta-lactamase2) 		7 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
GLY A 236
ARG A 220
 None
 1.17A 1i2wB-1dy6A:
40.0		 1i2wB-1dy6A:
44.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dy6 CARBAPENEM-HYDROLYSI
NG BETA-LACTAMASE
SME-1

(Serratia
marcescens) 		PF13354
(Beta-lactamase2) 		7 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
THR A 216
GLY A 236
 None
 0.49A 1i2wB-1dy6A:
40.0		 1i2wB-1dy6A:
44.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		7 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
THR A 216
GLY A 236
 SO4  A 500 (-3.1A)
None
SO4  A 500 (-2.6A)
None
None
SO4  A 500 ( 4.0A)
SO4  A 500 (-3.5A)
 0.39A 1i2wB-1e25A:
31.2		 1i2wB-1e25A:
29.00
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.
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		6 SER A  70
LYS A  73
SER A 130
ASN A 132
GLY A 236
ARG A 220
 SO4  A 500 (-3.1A)
None
SO4  A 500 (-2.6A)
None
SO4  A 500 (-3.5A)
SO4  A 500 ( 4.2A)
 1.05A 1i2wB-1e25A:
31.2		 1i2wB-1e25A:
29.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1g68 BETA-LACTAMASE PSE-4

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		8 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
GLY A 236
ALA A 237
ARG A 244
 SO4  A 400 (-2.9A)
SO4  A 400 ( 4.7A)
SO4  A 400 (-2.7A)
None
None
SO4  A 400 (-3.0A)
SO4  A 400 (-3.6A)
SO4  A 400 ( 4.6A)
 0.54A 1i2wB-1g68A:
38.4		 1i2wB-1g68A:
32.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hzo BETA-LACTAMASE

(Proteus
vulgaris) 		PF13354
(Beta-lactamase2) 		8 ALA A  69
SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
THR A 216
GLY A 236
 None
MES  A1000 (-3.1A)
None
MES  A1000 (-2.7A)
None
None
MES  A1000 (-3.7A)
MES  A1000 (-3.1A)
 0.49A 1i2wB-1hzoA:
41.7		 1i2wB-1hzoA:
43.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1n4o L2 BETA-LACTAMASE

(Stenotrophomonas
maltophilia) 		PF13354
(Beta-lactamase2) 		7 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
THR A 216
GLY A 236
 SO4  A1002 (-2.9A)
SO4  A1002 ( 4.9A)
SO4  A1002 (-3.1A)
None
None
SO4  A1002 ( 4.8A)
SO4  A1002 (-3.2A)
 0.37A 1i2wB-1n4oA:
38.7		 1i2wB-1n4oA:
37.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1n9b BETA-LACTAMASE SHV-2

(Klebsiella
pneumoniae) 		PF13354
(Beta-lactamase2) 		8 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
GLY A 236
ALA A 237
ARG A 244
 EPE  A 400 (-3.7A)
None
EPE  A 400 (-2.5A)
None
None
EPE  A 400 (-3.1A)
EPE  A 400 (-4.0A)
MA4  A 310 ( 3.8A)
 0.66A 1i2wB-1n9bA:
34.8		 1i2wB-1n9bA:
36.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pio BETA-LACTAMASE

(Staphylococcus
aureus) 		PF13354
(Beta-lactamase2) 		8 ALA A  69
SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
GLY A 236
ARG A 244
 None
 0.67A 1i2wB-1pioA:
40.7		 1i2wB-1pioA:
40.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w5d PENICILLIN-BINDING
PROTEIN

(Bacillus
subtilis) 		PF02113
(Peptidase_S13) 		7 ALA A  51
SER A  52
LYS A  55
SER A 299
ASN A 301
THR A 394
GLY A 413
 None
 0.46A 1i2wB-1w5dA:
20.1		 1i2wB-1w5dA:
19.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Streptococcus
pneumoniae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		8 ALA A  55
SER A  56
LYS A  59
SER A 119
ASN A 121
THR A 221
GLY A 241
ARG A 278
 None
SO4  A 464 (-3.4A)
None
SO4  A 464 (-3.4A)
None
SO4  A 464 ( 4.0A)
SO4  A 464 ( 3.8A)
SO4  A 464 ( 4.1A)
 1.07A 1i2wB-1xp4A:
21.0		 1i2wB-1xp4A:
24.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zg4 BETA-LACTAMASE TEM

(Escherichia
coli) 		PF13354
(Beta-lactamase2) 		8 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
GLY A 236
ALA A 237
ARG A 244
 None
 0.41A 1i2wB-1zg4A:
37.6		 1i2wB-1zg4A:
37.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c6w PENICILLIN-BINDING
PROTEIN 1A

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		7 SER B 370
LYS B 373
SER B 428
ASN B 430
ASN B 562
THR B 543
GLY B 559
 CL  B 704 (-3.5A)
None
CL  B 704 (-3.4A)
None
None
CL  B 704 ( 4.8A)
CL  B 704 ( 4.0A)
 1.09A 1i2wB-2c6wB:
16.6		 1i2wB-2c6wB:
22.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2cc1 BETA-LACTAMASE

(Mycolicibacterium
fortuitum) 		PF13354
(Beta-lactamase2) 		7 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
THR A 216
GLY A 236
 None
 0.35A 1i2wB-2cc1A:
39.4		 1i2wB-2cc1A:
40.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2exa PENICILLIN-BINDING
PROTEIN 4

(Escherichia
coli) 		PF02113
(Peptidase_S13) 		6 ALA A  61
SER A  62
LYS A  65
SER A 306
ASN A 308
GLY A 419
 DGF  A 501 (-3.6A)
DGF  A 501 (-1.3A)
DGF  A 501 ( 4.0A)
DGF  A 501 (-3.3A)
DGF  A 501 (-3.0A)
DGF  A 501 (-3.4A)
 0.38A 1i2wB-2exaA:
17.8		 1i2wB-2exaA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fff PENICILLIN-BINDING
PROTEIN 1B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		7 ALA B 459
SER B 460
LYS B 463
SER B 516
ASN B 518
THR B 629
GLY B 653
 None
 0.62A 1i2wB-2fffB:
16.3		 1i2wB-2fffB:
24.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fff PENICILLIN-BINDING
PROTEIN 1B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		7 SER B 460
LYS B 463
SER B 516
ASN B 518
ASN B 656
THR B 629
GLY B 653
 None
 1.17A 1i2wB-2fffB:
16.3		 1i2wB-2fffB:
24.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j7v TLL2115 PROTEIN

(Synechococcus
elongatus) 		PF13354
(Beta-lactamase2) 		6 ALA A  60
SER A  61
LYS A  64
ASN A 124
THR A 202
GLY A 221
 None
 0.81A 1i2wB-2j7vA:
32.5		 1i2wB-2j7vA:
26.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j7v TLL2115 PROTEIN

(Synechococcus
elongatus) 		PF13354
(Beta-lactamase2) 		6 ALA A  60
SER A  61
LYS A  64
SER A 122
ASN A 124
GLY A 221
 None
 0.34A 1i2wB-2j7vA:
32.5		 1i2wB-2j7vA:
26.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jch PENICILLIN-BINDING
PROTEIN 1B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		7 ALA A 459
SER A 460
LYS A 463
SER A 516
ASN A 518
ASN A 656
GLY A 653
 PL7  A1793 (-3.5A)
PL7  A1793 (-1.4A)
PL7  A1793 ( 4.0A)
PL7  A1793 (-3.0A)
PL7  A1793 (-3.2A)
PL7  A1793 (-4.8A)
PL7  A1793 (-3.3A)
 1.03A 1i2wB-2jchA:
15.1		 1i2wB-2jchA:
18.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jch PENICILLIN-BINDING
PROTEIN 1B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		7 ALA A 459
SER A 460
LYS A 463
SER A 516
ASN A 518
THR A 629
GLY A 653
 PL7  A1793 (-3.5A)
PL7  A1793 (-1.4A)
PL7  A1793 ( 4.0A)
PL7  A1793 (-3.0A)
PL7  A1793 (-3.2A)
PL7  A1793 ( 4.1A)
PL7  A1793 (-3.3A)
 0.61A 1i2wB-2jchA:
15.1		 1i2wB-2jchA:
18.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
THR A 600
GLY A 617
 None
 0.40A 1i2wB-2waeA:
14.8		 1i2wB-2waeA:
19.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wuq BETA-LACTAMASE
REGULATORY PROTEIN
BLAB

(Streptomyces
cacaoi) 		PF13354
(Beta-lactamase2) 		5 ALA A  46
SER A  47
LYS A  50
SER A 109
GLY A 256
 None
 0.18A 1i2wB-2wuqA:
29.9		 1i2wB-2wuqA:
24.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wyx BETA-LACTAMSE TOHO-1

(Escherichia
coli) 		PF13354
(Beta-lactamase2) 		7 SER A  70
LYS A  73
ASN A 104
SER A 130
ASN A 132
THR A 216
GLY A 236
 None
 0.33A 1i2wB-2wyxA:
41.1		 1i2wB-2wyxA:
41.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z2m PENICILLIN-BINDING
PROTEIN 2X

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		6 SER B 337
LYS B 340
SER B 395
ASN B 397
THR B 526
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 ( 3.4A)
 0.46A 1i2wB-2z2mB:
16.2		 1i2wB-2z2mB:
23.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zj9 AMPC

(Escherichia
coli) 		PF00144
(Beta-lactamase) 		5 SER A  64
LYS A  67
ASN A 152
GLY A 317
ALA A 318
 None
 0.40A 1i2wB-2zj9A:
5.3		 1i2wB-2zj9A:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a3i PENICILLIN-BINDING
PROTEIN 4

(Haemophilus
influenzae) 		PF02113
(Peptidase_S13) 		7 ALA A  68
SER A  69
LYS A  72
SER A 310
ASN A 312
THR A 401
GLY A 422
 AIX  A 501 (-3.6A)
AIX  A 501 (-1.3A)
AIX  A 501 ( 4.0A)
AIX  A 501 (-2.8A)
AIX  A 501 (-3.3A)
AIX  A 501 ( 4.0A)
AIX  A 501 (-3.4A)
 0.51A 1i2wB-3a3iA:
21.0		 1i2wB-3a3iA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a3j PBP5

(Haemophilus
influenzae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		6 ALA A  64
SER A  65
LYS A  68
SER A 128
ASN A 130
GLY A 233
 None
None
None
SO4  A   1 ( 4.8A)
None
SO4  A   1 (-3.5A)
 0.57A 1i2wB-3a3jA:
22.5		 1i2wB-3a3jA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a3j PBP5

(Haemophilus
influenzae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		6 ALA A  64
SER A  65
LYS A  68
SER A 128
GLY A 233
ARG A 267
 None
None
None
SO4  A   1 ( 4.8A)
SO4  A   1 (-3.5A)
SO4  A   1 (-3.0A)
 0.95A 1i2wB-3a3jA:
22.5		 1i2wB-3a3jA:
25.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bfg CLASS A
BETA-LACTAMASE SED1

(Citrobacter
sedlakii) 		PF13354
(Beta-lactamase2) 		9 SER A  70
LYS A  73
ASN A 104
SER A 130
ASN A 132
GLU A 166
THR A 216
GLY A 236
ALA A 237
 MER  A 301 (-1.3A)
MER  A 301 ( 3.8A)
MER  A 301 ( 4.1A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.3A)
MER  A 301 (-3.6A)
MER  A 301 (-3.0A)
MER  A 301 (-4.2A)
 0.50A 1i2wB-3bfgA:
41.7		 1i2wB-3bfgA:
42.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3byd BETA-LACTAMASE OXY-1

(Klebsiella
oxytoca) 		PF13354
(Beta-lactamase2) 		8 SER A  73
LYS A  76
SER A 133
ASN A 135
GLU A 169
THR A 219
GLY A 239
ALA A 240
 SO4  A 301 (-2.9A)
SO4  A 301 ( 4.9A)
SO4  A 301 (-2.8A)
None
None
SO4  A 301 ( 4.0A)
SO4  A 301 (-3.3A)
SO4  A 301 (-3.6A)
 0.35A 1i2wB-3bydA:
41.6		 1i2wB-3bydA:
41.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cjm PUTATIVE
BETA-LACTAMASE

(Enterococcus
faecalis) 		PF13354
(Beta-lactamase2) 		7 ALA A 107
SER A 108
LYS A 111
SER A 169
ASN A 171
GLY A 259
ARG A 244
 None
NO3  A   1 (-2.9A)
NO3  A   1 (-3.5A)
None
NO3  A   1 ( 4.7A)
None
EDO  A   6 ( 4.5A)
 0.94A 1i2wB-3cjmA:
26.1		 1i2wB-3cjmA:
28.06
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) 		6 SER A  84
LYS A  87
SER A 142
GLU A 182
THR A 232
GLY A 252
 DWZ  A 400 (-1.3A)
DWZ  A 400 (-2.6A)
DWZ  A 400 (-2.7A)
DWZ  A 400 (-2.8A)
DWZ  A 400 ( 4.5A)
DWZ  A 400 (-3.3A)
 0.38A 1i2wB-3dwzA:
41.5		 1i2wB-3dwzA:
44.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hum PENICILLIN-BINDING
PROTEIN 4

(Staphylococcus
aureus) 		PF00768
(Peptidase_S11)
PF09211
(DUF1958) 		6 ALA A  74
SER A  75
LYS A  78
SER A 139
ASN A 141
GLY A 261
 CEW  A 501 ( 4.1A)
CEW  A 501 (-2.6A)
None
CEW  A 501 (-3.4A)
None
CEW  A 501 (-3.1A)
 0.55A 1i2wB-3humA:
22.8		 1i2wB-3humA:
21.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lez BETA-LACTAMASE

(Oceanobacillus
iheyensis) 		PF13354
(Beta-lactamase2) 		9 SER A  85
LYS A  88
SER A 143
ASN A 145
GLU A 179
THR A 229
GLY A 249
ALA A 250
ARG A 256
 EPE  A 305 (-3.4A)
None
EPE  A 305 (-2.5A)
None
None
EPE  A 305 ( 3.9A)
EPE  A 305 (-3.4A)
EPE  A 305 ( 4.1A)
EPE  A 305 (-3.7A)
 0.56A 1i2wB-3lezA:
44.1		 1i2wB-3lezA:
55.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mfd D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACB

(Bacillus
subtilis) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		6 ALA A  59
SER A  60
LYS A  63
SER A 115
ASN A 117
GLY A 222
 CIT  A   1 ( 4.5A)
CIT  A   1 (-2.5A)
CIT  A   1 ( 4.4A)
CIT  A   1 (-2.8A)
None
CIT  A   1 (-3.3A)
 0.29A 1i2wB-3mfdA:
22.6		 1i2wB-3mfdA:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p09 BETA-LACTAMASE

(Francisella
tularensis) 		PF13354
(Beta-lactamase2) 		6 SER A  61
LYS A  64
SER A 122
GLU A 158
GLY A 228
ARG A 212
 SO4  A 288 (-3.1A)
None
SO4  A 288 (-2.7A)
None
SO4  A 288 (-3.3A)
SO4  A 288 ( 4.4A)
 1.12A 1i2wB-3p09A:
39.5		 1i2wB-3p09A:
29.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p09 BETA-LACTAMASE

(Francisella
tularensis) 		PF13354
(Beta-lactamase2) 		6 SER A  61
LYS A  64
SER A 122
GLU A 158
THR A 208
GLY A 228
 SO4  A 288 (-3.1A)
None
SO4  A 288 (-2.7A)
None
SO4  A 288 ( 4.8A)
SO4  A 288 (-3.3A)
 0.38A 1i2wB-3p09A:
39.5		 1i2wB-3p09A:
29.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3qhy BETA-LACTAMASE

(Bacillus
anthracis) 		PF13354
(Beta-lactamase2) 		10 ALA A  69
SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
THR A 216
GLY A 236
ALA A 237
ARG A 244
 None
 0.43A 1i2wB-3qhyA:
43.7		 1i2wB-3qhyA:
58.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
THR A 511
GLY A 527
 None
 0.77A 1i2wB-3ue3A:
16.2		 1i2wB-3ue3A:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v39 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Bdellovibrio
bacteriovorus) 		PF02113
(Peptidase_S13) 		7 ALA A  69
SER A  70
LYS A  73
SER A 251
ASN A 253
THR A 342
GLY A 359
 TAU  A 501 (-3.4A)
TAU  A 501 (-1.5A)
TAU  A 501 ( 3.7A)
TAU  A 501 (-2.6A)
TAU  A 501 (-3.1A)
None
TAU  A 501 (-3.5A)
 0.34A 1i2wB-3v39A:
18.0		 1i2wB-3v39A:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vsk PENICILLIN-BINDING
PROTEIN 3

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		6 SER A 392
LYS A 395
SER A 448
ASN A 450
GLY A 391
ALA A 622
 None
 1.48A 1i2wB-3vskA:
16.3		 1i2wB-3vskA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vsk PENICILLIN-BINDING
PROTEIN 3

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		6 SER A 392
LYS A 395
SER A 448
ASN A 450
THR A 603
GLY A 620
 None
 0.72A 1i2wB-3vskA:
16.3		 1i2wB-3vskA:
20.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3w4q BETA-LACTAMASE

(Burkholderia
multivorans) 		PF13354
(Beta-lactamase2) 		7 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
GLY A 236
ARG A 220
 None
 1.01A 1i2wB-3w4qA:
41.9		 1i2wB-3w4qA:
46.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zdj ENCA BETA-LACTAMASE

(synthetic
construct) 		PF13354
(Beta-lactamase2) 		8 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
GLY A 236
ALA A 237
ARG A 244
 SO4  A1291 (-3.4A)
None
SO4  A1291 (-3.1A)
None
None
SO4  A1291 (-3.3A)
SO4  A1291 (-3.9A)
SO4  A1291 ( 3.6A)
 0.39A 1i2wB-3zdjA:
38.2		 1i2wB-3zdjA:
38.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zg8 PENICILLIN-BINDING
PROTEIN 4

(Listeria
monocytogenes) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		6 SER B 394
LYS B 397
SER B 449
ASN B 451
THR B 561
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 ( 3.7A)
 0.67A 1i2wB-3zg8B:
16.6		 1i2wB-3zg8B:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zny CTX-M-12A ENZYME

(Klebsiella
pneumoniae) 		PF13354
(Beta-lactamase2) 		7 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
THR A 216
GLY A 236
 None
 0.33A 1i2wB-3znyA:
41.7		 1i2wB-3znyA:
41.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp. R39) 		PF02113
(Peptidase_S13) 		7 ALA A  48
SER A  49
LYS A  52
SER A 298
ASN A 300
THR A 393
GLY A 412
 B07  A 500 (-3.8A)
B07  A 500 (-1.4A)
B07  A 500 (-3.4A)
B07  A 500 (-1.4A)
B07  A 500 ( 4.2A)
B07  A 500 ( 4.8A)
B07  A 500 (-3.2A)
 0.67A 1i2wB-3zvtA:
20.5		 1i2wB-3zvtA:
21.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c6y BETA-LACTAMASE

(synthetic
construct) 		PF13354
(Beta-lactamase2) 		7 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
THR A 216
GLY A 236
 PEG  A 307 (-2.4A)
PEG  A 307 ( 3.6A)
PEG  A 307 (-2.4A)
PEG  A 307 (-3.1A)
None
PEG  A 307 ( 4.3A)
PEG  A 307 (-2.7A)
 0.47A 1i2wB-4c6yA:
40.5		 1i2wB-4c6yA:
46.95
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) 		6 SER A  70
LYS A  73
SER A 130
ASN A 132
GLY A 236
ARG A 220
 PEG  A 307 (-2.4A)
PEG  A 307 ( 3.6A)
PEG  A 307 (-2.4A)
PEG  A 307 (-3.1A)
PEG  A 307 (-2.7A)
PEG  A 307 ( 3.6A)
 1.05A 1i2wB-4c6yA:
40.5		 1i2wB-4c6yA:
46.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c75 BETA-LACTAMASE

(synthetic
construct) 		PF13354
(Beta-lactamase2) 		8 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
THR A 216
GLY A 236
ARG A 244
 NA  A 294 ( 2.5A)
SO4  A 291 ( 4.6A)
SO4  A 291 (-2.8A)
None
None
SO4  A 291 ( 4.1A)
NA  A 294 ( 3.2A)
SO4  A 291 (-4.1A)
 0.40A 1i2wB-4c75A:
41.3		 1i2wB-4c75A:
54.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d2o PER-2 BETA-LACTAMASE

(Citrobacter
freundii) 		PF13354
(Beta-lactamase2) 		7 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
GLY A 236
ARG A 220
 None
 1.07A 1i2wB-4d2oA:
30.7		 1i2wB-4d2oA:
26.60
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.
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
THR A 216
GLY A 236
 None
 0.50A 1i2wB-4d2oA:
30.7		 1i2wB-4d2oA:
26.60
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.
4dxb MALTOSE-BINDING
PERIPLASMIC PROTEIN,
BETA-LACTAMASE TEM
CHIMERA

(Escherichia
coli) 		PF01547
(SBP_bac_1)
PF13354
(Beta-lactamase2) 		5 SER A 426
LYS A 429
SER A 486
ASN A 488
GLU A 522
 None
 0.39A 1i2wB-4dxbA:
22.1		 1i2wB-4dxbA:
18.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1

(Serratia
fonticola) 		PF13354
(Beta-lactamase2) 		6 SER A  70
LYS A  73
SER A 130
ASN A 132
GLY A 236
ARG A 220
 MER  A 401 (-1.3A)
MER  A 401 ( 4.4A)
MER  A 401 (-2.8A)
MER  A 401 (-3.2A)
MER  A 401 (-3.6A)
MER  A 401 ( 3.9A)
 1.19A 1i2wB-4ev4A:
40.8		 1i2wB-4ev4A:
45.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1

(Serratia
fonticola) 		PF13354
(Beta-lactamase2) 		6 SER A  70
LYS A  73
SER A 130
ASN A 132
THR A 216
GLY A 236
 MER  A 401 (-1.3A)
MER  A 401 ( 4.4A)
MER  A 401 (-2.8A)
MER  A 401 (-3.2A)
MER  A 401 ( 3.9A)
MER  A 401 (-3.6A)
 0.43A 1i2wB-4ev4A:
40.8		 1i2wB-4ev4A:
45.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ewf BETA-LACTAMASE

(Sphaerobacter
thermophilus) 		PF13354
(Beta-lactamase2) 		7 ALA A  48
SER A  49
LYS A  52
SER A 110
ASN A 112
GLY A 215
ARG A 197
 None
SO4  A 301 (-3.1A)
None
SO4  A 301 (-3.1A)
None
SO4  A 301 (-3.5A)
SO4  A 301 ( 3.7A)
 0.98A 1i2wB-4ewfA:
30.8		 1i2wB-4ewfA:
26.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hes BETA-LACTAMASE CLASS
A-LIKE PROTEIN

(Veillonella
parvula) 		PF13354
(Beta-lactamase2) 		6 ALA A  55
SER A  56
LYS A  59
SER A 117
ASN A 119
GLY A 219
 None
GOL  A 301 (-3.0A)
GOL  A 301 ( 4.2A)
GOL  A 301 (-2.7A)
None
GOL  A 301 (-3.5A)
 0.33A 1i2wB-4hesA:
27.7		 1i2wB-4hesA:
25.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mnr PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Eggerthella
lenta) 		PF00905
(Transpeptidase) 		6 SER A 182
LYS A 185
SER A 237
ASN A 239
THR A 383
GLY A 399
 None
 0.59A 1i2wB-4mnrA:
16.7		 1i2wB-4mnrA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ovd PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Atopobium
parvulum) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		6 SER A 305
LYS A 308
SER A 361
ASN A 363
THR A 486
GLY A 502
 CA  A 601 (-3.4A)
None
CA  A 601 ( 3.8A)
None
CA  A 601 ( 4.7A)
CA  A 601 ( 4.2A)
 0.60A 1i2wB-4ovdA:
17.0		 1i2wB-4ovdA:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ppr PENICILLIN-BINDING
PROTEIN DACB1

(Mycobacterium
tuberculosis) 		PF00768
(Peptidase_S11) 		6 ALA A 120
SER A 121
LYS A 124
SER A 176
ASN A 178
GLY A 284
 MER  A 400 (-3.5A)
MER  A 400 (-1.3A)
MER  A 400 ( 4.1A)
MER  A 400 (-2.5A)
MER  A 400 (-3.0A)
MER  A 400 (-3.1A)
 0.32A 1i2wB-4pprA:
20.4		 1i2wB-4pprA:
23.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ra7 PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Atopobium
parvulum) 		PF00905
(Transpeptidase) 		6 SER A 682
LYS A 685
SER A 737
ASN A 739
THR A 876
GLY A 892
 NXU  A1001 (-1.3A)
NXU  A1001 ( 4.2A)
NXU  A1001 (-3.2A)
NXU  A1001 (-3.5A)
NXU  A1001 (-4.0A)
NXU  A1001 (-3.4A)
 0.54A 1i2wB-4ra7A:
15.8		 1i2wB-4ra7A:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Mycobacterium
tuberculosis) 		PF00768
(Peptidase_S11) 		6 ALA A  68
SER A  69
LYS A  72
SER A 124
ASN A 126
GLY A 232
 None
 0.30A 1i2wB-4ryeA:
22.2		 1i2wB-4ryeA:
24.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u3t PENICILLIN-BINDING
PROTEIN 2

(Neisseria
gonorrhoeae) 		PF00905
(Transpeptidase) 		6 SER A 310
LYS A 313
SER A 362
ASN A 364
THR A 483
GLY A 499
 None
 0.71A 1i2wB-4u3tA:
16.0		 1i2wB-4u3tA:
28.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yfm BETA-LACTAMASE

(Mycobacteroides
abscessus) 		PF13354
(Beta-lactamase2) 		7 SER A  71
LYS A  74
SER A 131
ASN A 133
GLU A 167
THR A 215
GLY A 235
 ACT  A 301 (-3.5A)
ACT  A 301 ( 4.8A)
ACT  A 301 (-2.9A)
None
None
ACT  A 301 (-3.7A)
ACT  A 301 (-3.3A)
 0.43A 1i2wB-4yfmA:
40.2		 1i2wB-4yfmA:
44.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2

(Legionella
pneumophila) 		PF00905
(Transpeptidase) 		6 SER A 400
LYS A 403
SER A 454
ASN A 456
THR A 554
GLY A 570
 NHE  A 901 (-3.2A)
None
NHE  A 901 (-2.9A)
None
NHE  A 901 ( 4.2A)
NHE  A 901 (-3.6A)
 0.60A 1i2wB-4ztkA:
16.0		 1i2wB-4ztkA:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aqa OFF7_DB04V3

(synthetic
construct) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13354
(Beta-lactamase2) 		8 SER A 200
LYS A 203
SER A 260
ASN A 262
GLU A 296
GLY A 366
ALA A 367
ARG A 373
 None
 0.44A 1i2wB-5aqaA:
36.9		 1i2wB-5aqaA:
27.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cer BD0816

(Bdellovibrio
bacteriovorus) 		PF02113
(Peptidase_S13) 		6 ALA A  57
LYS A  61
SER A 239
ASN A 241
THR A 330
GLY A 347
 None
 0.35A 1i2wB-5cerA:
18.7		 1i2wB-5cerA:
19.75
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) 		7 SER A  47
LYS A  50
SER A 107
ASN A 109
GLU A 143
THR A 193
GLY A 213
 None
 0.35A 1i2wB-5e2eA:
41.7		 1i2wB-5e2eA:
41.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e43 BETA-LACTAMASE

(Streptosporangium
roseum) 		PF13354
(Beta-lactamase2) 		7 SER A  70
LYS A  73
SER A 131
ASN A 133
GLU A 167
THR A 217
GLY A 237
 ACT  A 311 (-3.2A)
None
ACT  A 311 (-3.0A)
None
None
ACT  A 311 ( 3.9A)
ACT  A 311 (-3.2A)
 0.34A 1i2wB-5e43A:
41.6		 1i2wB-5e43A:
38.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e43 BETA-LACTAMASE

(Streptosporangium
roseum) 		PF13354
(Beta-lactamase2) 		6 SER A  70
LYS A  73
SER A 131
ASN A 133
GLY A 237
ARG A 221
 ACT  A 311 (-3.2A)
None
ACT  A 311 (-3.0A)
None
ACT  A 311 (-3.2A)
ACT  A 311 (-4.5A)
 1.11A 1i2wB-5e43A:
41.6		 1i2wB-5e43A:
38.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eoe BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		7 SER A  62
LYS A  65
SER A 123
ASN A 125
GLU A 159
THR A 209
GLY A 229
 CIT  A 303 (-2.8A)
CIT  A 303 (-3.6A)
CIT  A 303 (-2.5A)
CIT  A 303 (-3.2A)
None
CIT  A 303 (-3.2A)
CIT  A 303 (-3.5A)
 0.34A 1i2wB-5eoeA:
39.0		 1i2wB-5eoeA:
37.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5f83 BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		8 SER A  64
LYS A  67
SER A 125
ASN A 127
GLU A 161
THR A 211
GLY A 231
ARG A 238
 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 (-3.5A)
 0.32A 1i2wB-5f83A:
37.8		 1i2wB-5f83A:
35.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5gl9 BETA-LACTAMASE

(Burkholderia
thailandensis) 		PF13354
(Beta-lactamase2) 		7 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
GLY A 236
ARG A 220
 None
 1.08A 1i2wB-5gl9A:
41.3		 1i2wB-5gl9A:
43.21
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) 		7 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
THR A 216
GLY A 236
 None
 0.36A 1i2wB-5gl9A:
41.3		 1i2wB-5gl9A:
43.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hlb PENICILLIN-BINDING
PROTEIN 1B

(Escherichia
coli) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF14814
(UB2H) 		6 SER A 510
LYS A 513
SER A 572
ASN A 574
THR A 682
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 (-3.3A)
 0.59A 1i2wB-5hlbA:
17.3		 1i2wB-5hlbA:
19.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hw3 BETA-LACTAMASE

(Burkholderia
vietnamiensis) 		PF13354
(Beta-lactamase2) 		7 SER A  70
LYS A  73
SER A 131
ASN A 133
GLU A 167
GLY A 235
ARG A 219
 SO4  A 301 (-2.7A)
None
SO4  A 301 (-2.6A)
None
None
SO4  A 301 (-3.4A)
SO4  A 301 ( 4.2A)
 1.09A 1i2wB-5hw3A:
38.8		 1i2wB-5hw3A:
33.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ksh PENICILLIN-BINDING
PROTEIN 2

(Neisseria
gonorrhoeae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		6 SER A 310
LYS A 313
SER A 362
ASN A 364
THR A 483
GLY A 499
 None
 0.79A 1i2wB-5kshA:
15.6		 1i2wB-5kshA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ll7 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 7 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
GLY A 236
ARG A 220
 6YV  A 301 (-1.7A)
6YV  A 301 ( 3.8A)
6YV  A 301 (-2.6A)
6YV  A 301 (-3.7A)
6YV  A 301 (-2.7A)
6YV  A 301 ( 4.0A)
6YV  A 301 ( 3.7A)
 1.07A 1i2wB-5ll7A:
41.8		 1i2wB-5ll7A:
18.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ll7 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 7 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
THR A 216
GLY A 236
 6YV  A 301 (-1.7A)
6YV  A 301 ( 3.8A)
6YV  A 301 (-2.6A)
6YV  A 301 (-3.7A)
6YV  A 301 (-2.7A)
6YV  A 301 ( 4.2A)
6YV  A 301 ( 4.0A)
 0.44A 1i2wB-5ll7A:
41.8		 1i2wB-5ll7A:
18.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tfq BETA-LACTAMASE

(Bacteroides
cellulosilyticus) 		PF13354
(Beta-lactamase2) 		7 SER A  48
LYS A  51
SER A 112
ASN A 114
GLU A 148
THR A 197
GLY A 217
 PO4  A 301 (-3.8A)
None
PO4  A 301 (-2.6A)
None
None
PO4  A 301 ( 3.8A)
PO4  A 301 (-3.3A)
 0.28A 1i2wB-5tfqA:
31.8		 1i2wB-5tfqA:
26.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tr7 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Vibrio cholerae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		6 ALA A  65
SER A  66
LYS A  69
SER A 129
ASN A 131
GLY A 234
 None
 0.58A 1i2wB-5tr7A:
22.4		 1i2wB-5tr7A:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ty7 PENICILLIN-BINDING
PROTEIN 4

(Staphylococcus
aureus) 		no annotation 6 ALA A  74
SER A  75
LYS A  78
SER A 139
ASN A 141
GLY A 261
 NFF  A 401 ( 3.7A)
NFF  A 401 (-1.1A)
NFF  A 401 ( 4.4A)
NFF  A 401 (-3.4A)
None
NFF  A 401 (-3.7A)
 0.48A 1i2wB-5ty7A:
21.0		 1i2wB-5ty7A:
17.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u2g PENICILLIN-BINDING
PROTEIN 1A

(Haemophilus
influenzae) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		6 SER A 452
LYS A 455
SER A 510
ASN A 512
THR A 712
GLY A 730
 None
 0.79A 1i2wB-5u2gA:
16.4		 1i2wB-5u2gA:
16.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u2g PENICILLIN-BINDING
PROTEIN 1A

(Haemophilus
influenzae) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		6 SER A 452
LYS A 455
SER A 510
ASN A 733
THR A 712
GLY A 730
 None
 1.31A 1i2wB-5u2gA:
16.4		 1i2wB-5u2gA:
16.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u47 PENICILLIN BINDING
PROTEIN 2X

(Streptococcus
thermophilus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF03793
(PASTA) 		6 SER A 343
LYS A 346
SER A 402
ASN A 404
THR A 532
GLY A 555
 None
 0.47A 1i2wB-5u47A:
16.6		 1i2wB-5u47A:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x5g BETA-LACTAMASE

(Serratia
marcescens) 		PF13354
(Beta-lactamase2) 		7 SER A  56
LYS A  59
SER A 120
ASN A 122
GLU A 156
GLY A 226
ARG A 210
 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 (-3.2A)
OP0  A 305 (-3.6A)
 0.97A 1i2wB-5x5gA:
32.9		 1i2wB-5x5gA:
26.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x5g BETA-LACTAMASE

(Serratia
marcescens) 		PF13354
(Beta-lactamase2) 		7 SER A  56
LYS A  59
SER A 120
ASN A 122
GLU A 156
THR A 206
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 (-3.2A)
 0.35A 1i2wB-5x5gA:
32.9		 1i2wB-5x5gA:
26.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zqe -

(-) 		no annotation 7 ALA A  57
SER A  58
LYS A  61
SER A 118
ASN A 120
THR A 208
GLY A 224
 CES  A 301 (-3.5A)
CES  A 301 (-1.3A)
CES  A 301 ( 4.1A)
CES  A 301 ( 3.7A)
CES  A 301 (-3.3A)
CES  A 301 (-4.3A)
CES  A 301 (-3.2A)
 0.48A 1i2wB-5zqeA:
22.3		 1i2wB-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.
5zqe -

(-) 		no annotation 7 SER A  58
LYS A  61
SER A 118
ASN A 120
THR A 208
GLY A 224
ARG A 257
 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)
CES  A 301 (-3.2A)
CES  A 301 (-2.9A)
 0.86A 1i2wB-5zqeA:
22.3		 1i2wB-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 ALA A  67
LYS A  71
SER A 125
ASN A 127
THR A 217
GLY A 234
 SEE  A  68 ( 2.7A)
SEE  A  68 ( 2.8A)
SEE  A  68 ( 1.4A)
SEE  A  68 ( 3.6A)
None
SEE  A  68 ( 3.9A)
 0.46A 1i2wB-6aziA:
21.7		 1i2wB-6aziA:
26.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bu3 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 8 SER A  70
LYS A  73
ASN A 104
SER A 130
ASN A 132
GLU A 166
THR A 216
GLY A 236
 3GK  A 301 ( 3.8A)
3GK  A 301 ( 4.0A)
3GK  A 301 ( 3.2A)
3GK  A 301 (-2.7A)
3GK  A 301 (-3.5A)
None
3GK  A 302 ( 4.3A)
3GK  A 301 (-3.4A)
 0.42A 1i2wB-6bu3A:
41.7		 1i2wB-6bu3A:
16.42