SIMILAR PATTERNS OF AMINO ACIDS FOR 3MZE_A_CFXA364_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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1alq CP254 BETA-LACTAMASE

(Staphylococcus
aureus) 		PF13354
(Beta-lactamase2) 		6 ALA A  69
SER A  70
LYS A  73
ASN A 132
GLY A 236
ARG A 244
 None
 0.80A 3mzeA-1alqA:
16.1		 3mzeA-1alqA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bsg BETA LACTAMASE

(Streptomyces
albus) 		PF13354
(Beta-lactamase2) 		6 SER A  70
LYS A  73
ASN A 132
THR A 235
GLY A 236
ARG A 220
 None
 0.78A 3mzeA-1bsgA:
21.1		 3mzeA-1bsgA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bsg BETA LACTAMASE

(Streptomyces
albus) 		PF13354
(Beta-lactamase2) 		6 SER A  70
LYS A  73
LEU A 169
THR A 235
GLY A 236
ARG A 220
 None
 1.40A 3mzeA-1bsgA:
21.1		 3mzeA-1bsgA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bue PROTEIN
(IMIPENEM-HYDROLYSIN
G BETA-LACTAMASE)

(Enterobacter
cloacae) 		PF13354
(Beta-lactamase2) 		6 SER A  70
ASN A 132
LEU A 167
THR A 235
GLY A 236
ARG A 220
 None
 0.91A 3mzeA-1bueA:
21.2		 3mzeA-1bueA:
22.85
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.
1bue PROTEIN
(IMIPENEM-HYDROLYSIN
G BETA-LACTAMASE)

(Enterobacter
cloacae) 		PF13354
(Beta-lactamase2) 		6 SER A  70
LYS A  73
ASN A 132
THR A 235
GLY A 236
ARG A 220
 None
 0.75A 3mzeA-1bueA:
21.2		 3mzeA-1bueA:
22.85
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.
1dy6 CARBAPENEM-HYDROLYSI
NG BETA-LACTAMASE
SME-1

(Serratia
marcescens) 		PF13354
(Beta-lactamase2) 		6 LYS A  73
ASN A 132
LEU A 167
THR A 235
GLY A 236
ARG A 220
 None
 0.93A 3mzeA-1dy6A:
21.6		 3mzeA-1dy6A:
21.93
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.
1dy6 CARBAPENEM-HYDROLYSI
NG BETA-LACTAMASE
SME-1

(Serratia
marcescens) 		PF13354
(Beta-lactamase2) 		6 SER A  70
LYS A  73
ASN A 132
LEU A 167
THR A 235
GLY A 236
 None
 0.80A 3mzeA-1dy6A:
21.6		 3mzeA-1dy6A:
21.93
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) 		6 SER A  70
LYS A  73
ASN A 132
THR A 235
GLY A 236
ARG A 220
 SO4  A 500 (-3.1A)
None
None
SO4  A 500 (-3.8A)
SO4  A 500 (-3.5A)
SO4  A 500 ( 4.2A)
 0.74A 3mzeA-1e25A:
20.4		 3mzeA-1e25A:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hzo BETA-LACTAMASE

(Proteus
vulgaris) 		PF13354
(Beta-lactamase2) 		6 ALA A  69
SER A  70
LYS A  73
ASN A 132
THR A 235
GLY A 236
 None
MES  A1000 (-3.1A)
None
None
MES  A1000 (-3.7A)
MES  A1000 (-3.1A)
 0.49A 3mzeA-1hzoA:
21.7		 3mzeA-1hzoA:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i2w BETA-LACTAMASE

(Bacillus
licheniformis) 		PF13354
(Beta-lactamase2) 		7 ALA A  69
SER A  70
LYS A  73
ASN A 132
THR A 235
GLY A 236
ARG A 244
 CFX  A1300 (-3.5A)
CFX  A1300 (-1.3A)
CFX  A1300 (-2.6A)
CFX  A1300 (-3.0A)
CFX  A1300 (-3.6A)
CFX  A1300 (-3.3A)
CFX  A1300 (-3.5A)
 0.87A 3mzeA-1i2wA:
21.6		 3mzeA-1i2wA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n9b BETA-LACTAMASE SHV-2

(Klebsiella
pneumoniae) 		PF13354
(Beta-lactamase2) 		6 SER A  70
LYS A  73
ASN A 132
THR A 235
GLY A 236
ARG A 244
 EPE  A 400 (-3.7A)
None
None
EPE  A 400 (-3.8A)
EPE  A 400 (-3.1A)
MA4  A 310 ( 3.8A)
 1.15A 3mzeA-1n9bA:
21.6		 3mzeA-1n9bA:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pio BETA-LACTAMASE

(Staphylococcus
aureus) 		PF13354
(Beta-lactamase2) 		6 ALA A  69
SER A  70
LYS A  73
ASN A 132
GLY A 236
ARG A 244
 None
 0.88A 3mzeA-1pioA:
21.0		 3mzeA-1pioA:
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.
1rgy BETA-LACTAMASE

(Citrobacter
freundii) 		PF00144
(Beta-lactamase) 		6 SER A  64
LYS A  67
ASN A 152
GLY A 317
THR A 319
ARG A 349
 PTX  A 400 (-1.5A)
PTX  A 400 ( 4.0A)
PTX  A 400 (-3.6A)
PTX  A 400 (-3.3A)
None
None
 1.03A 3mzeA-1rgyA:
14.7		 3mzeA-1rgyA:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rgy BETA-LACTAMASE

(Citrobacter
freundii) 		PF00144
(Beta-lactamase) 		6 SER A  64
LYS A  67
ASN A 152
THR A 316
GLY A 317
THR A 319
 PTX  A 400 (-1.5A)
PTX  A 400 ( 4.0A)
PTX  A 400 (-3.6A)
None
PTX  A 400 (-3.3A)
None
 0.75A 3mzeA-1rgyA:
14.7		 3mzeA-1rgyA:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1s6r BETA-LACTAMASE

(Enterobacter
cloacae) 		PF00144
(Beta-lactamase) 		7 SER A  64
LYS A  67
ASN A 152
THR A 316
GLY A 317
THR A 319
ARG A 349
 IAP  A   1 (-1.4A)
IAP  A   1 ( 4.0A)
IAP  A   1 (-2.9A)
None
IAP  A   1 (-3.8A)
None
None
 0.94A 3mzeA-1s6rA:
14.1		 3mzeA-1s6rA:
23.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vlm SAM-DEPENDENT
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF08241
(Methyltransf_11) 		6 ALA A  50
GLY A 126
LEU A  95
THR A  46
GLY A  47
PHE A  16
 None
 1.27A 3mzeA-1vlmA:
undetectable		 3mzeA-1vlmA:
22.13
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.
1w5d PENICILLIN-BINDING
PROTEIN

(Bacillus
subtilis) 		PF02113
(Peptidase_S13) 		6 ALA A  51
SER A  52
LYS A  55
ASN A 301
THR A 412
GLY A 413
 None
 0.42A 3mzeA-1w5dA:
18.8		 3mzeA-1w5dA:
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.
1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Streptococcus
pneumoniae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		9 ALA A  55
SER A  56
LYS A  59
ASN A 121
LEU A 162
THR A 240
GLY A 241
THR A 243
ARG A 278
 None
SO4  A 464 (-3.4A)
None
None
None
SO4  A 464 (-4.0A)
SO4  A 464 ( 3.8A)
None
SO4  A 464 ( 4.1A)
 0.73A 3mzeA-1xp4A:
36.0		 3mzeA-1xp4A:
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.
1zkj EXTENDED-SPECTRUM
BETA-LACTAMASE

(Klebsiella
aerogenes) 		PF00144
(Beta-lactamase) 		6 SER A  65
LYS A  68
ASN A 153
GLY A 314
THR A 316
ARG A 346
 None
None
None
None
ACY  A1402 (-4.3A)
None
 1.07A 3mzeA-1zkjA:
15.0		 3mzeA-1zkjA:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zkj EXTENDED-SPECTRUM
BETA-LACTAMASE

(Klebsiella
aerogenes) 		PF00144
(Beta-lactamase) 		6 SER A  65
LYS A  68
ASN A 153
THR A 313
GLY A 314
THR A 316
 None
None
None
None
None
ACY  A1402 (-4.3A)
 0.80A 3mzeA-1zkjA:
15.0		 3mzeA-1zkjA:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2exa PENICILLIN-BINDING
PROTEIN 4

(Escherichia
coli) 		PF02113
(Peptidase_S13) 		7 ALA A  61
SER A  62
LYS A  65
ASN A 308
LEU A 359
THR A 418
GLY A 419
 DGF  A 501 (-3.6A)
DGF  A 501 (-1.3A)
DGF  A 501 ( 4.0A)
DGF  A 501 (-3.0A)
DGF  A 501 (-4.2A)
None
DGF  A 501 (-3.4A)
 0.37A 3mzeA-2exaA:
16.5		 3mzeA-2exaA:
22.95
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.
2fff PENICILLIN-BINDING
PROTEIN 1B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		6 ALA B 459
SER B 460
LYS B 463
ASN B 518
THR B 652
GLY B 653
 None
 0.57A 3mzeA-2fffB:
13.5		 3mzeA-2fffB:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 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 ALA B 459
SER B 460
LYS B 463
THR B 652
GLY B 653
THR B 655
 None
 0.73A 3mzeA-2fffB:
13.5		 3mzeA-2fffB:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 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 220
GLY A 221
 None
 0.42A 3mzeA-2j7vA:
21.9		 3mzeA-2j7vA:
22.01
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.
2jch PENICILLIN-BINDING
PROTEIN 1B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		7 ALA A 459
SER A 460
LYS A 463
ASN A 518
THR A 652
GLY A 653
THR A 655
 PL7  A1793 (-3.5A)
PL7  A1793 (-1.4A)
PL7  A1793 ( 4.0A)
PL7  A1793 (-3.2A)
PL7  A1793 (-3.9A)
PL7  A1793 (-3.3A)
None
 0.87A 3mzeA-2jchA:
13.1		 3mzeA-2jchA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qz6 BETA-LACTAMASE

(Pseudomonas
fluorescens) 		PF00144
(Beta-lactamase) 		6 SER A  64
LYS A  67
ASN A 152
GLY A 317
THR A 319
ARG A 349
 None
 1.09A 3mzeA-2qz6A:
14.8		 3mzeA-2qz6A:
22.79
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.
2qz6 BETA-LACTAMASE

(Pseudomonas
fluorescens) 		PF00144
(Beta-lactamase) 		6 SER A  64
LYS A  67
ASN A 152
THR A 316
GLY A 317
THR A 319
 None
 0.82A 3mzeA-2qz6A:
14.8		 3mzeA-2qz6A:
22.79
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.
2wuq BETA-LACTAMASE
REGULATORY PROTEIN
BLAB

(Streptomyces
cacaoi) 		PF13354
(Beta-lactamase2) 		6 ALA A  46
SER A  47
LYS A  50
THR A 255
GLY A 256
ARG A 239
 None
 0.65A 3mzeA-2wuqA:
21.4		 3mzeA-2wuqA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zc7 BETA-LACTAMASE ACT-1

(Klebsiella
pneumoniae) 		PF00144
(Beta-lactamase) 		6 SER A  64
LYS A  67
ASN A 152
THR A 316
GLY A 317
ARG A 349
 None
 0.80A 3mzeA-2zc7A:
14.3		 3mzeA-2zc7A:
22.77
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.
2zc7 BETA-LACTAMASE ACT-1

(Klebsiella
pneumoniae) 		PF00144
(Beta-lactamase) 		6 SER A  64
LYS A  67
THR A 316
GLY A 317
THR A 319
ARG A 349
 None
 0.97A 3mzeA-2zc7A:
14.3		 3mzeA-2zc7A:
22.77
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.
2zj9 AMPC

(Escherichia
coli) 		PF00144
(Beta-lactamase) 		6 SER A  64
LYS A  67
ASN A 152
GLY A 317
THR A 319
ARG A 349
 None
 1.00A 3mzeA-2zj9A:
14.6		 3mzeA-2zj9A:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zj9 AMPC

(Escherichia
coli) 		PF00144
(Beta-lactamase) 		6 SER A  64
LYS A  67
ASN A 152
THR A 316
GLY A 317
THR A 319
 None
 0.73A 3mzeA-2zj9A:
14.6		 3mzeA-2zj9A:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a3i PENICILLIN-BINDING
PROTEIN 4

(Haemophilus
influenzae) 		PF02113
(Peptidase_S13) 		7 ALA A  68
SER A  69
LYS A  72
ASN A 312
LEU A 362
THR A 421
GLY A 422
 AIX  A 501 (-3.6A)
AIX  A 501 (-1.3A)
AIX  A 501 ( 4.0A)
AIX  A 501 (-3.3A)
AIX  A 501 (-4.9A)
AIX  A 501 (-3.4A)
AIX  A 501 (-3.4A)
 0.73A 3mzeA-3a3iA:
18.2		 3mzeA-3a3iA:
22.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3a3j PBP5

(Haemophilus
influenzae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		6 ALA A  64
LYS A  68
THR A 232
GLY A 233
THR A 235
ARG A 267
 None
None
SO4  A   1 (-3.6A)
SO4  A   1 (-3.5A)
None
SO4  A   1 (-3.0A)
 0.90A 3mzeA-3a3jA:
47.1		 3mzeA-3a3jA:
55.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3a3j PBP5

(Haemophilus
influenzae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		7 ALA A  64
SER A  65
LYS A  68
ASN A 130
THR A 232
GLY A 233
ARG A 267
 None
None
None
None
SO4  A   1 (-3.6A)
SO4  A   1 (-3.5A)
SO4  A   1 (-3.0A)
 0.52A 3mzeA-3a3jA:
47.1		 3mzeA-3a3jA:
55.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cjm PUTATIVE
BETA-LACTAMASE

(Enterococcus
faecalis) 		PF13354
(Beta-lactamase2) 		6 ALA A 107
SER A 108
LYS A 111
ASN A 171
GLY A 259
ARG A 244
 None
NO3  A   1 (-2.9A)
NO3  A   1 (-3.5A)
NO3  A   1 ( 4.7A)
None
EDO  A   6 ( 4.5A)
 0.68A 3mzeA-3cjmA:
20.8		 3mzeA-3cjmA:
20.75
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.
3hum PENICILLIN-BINDING
PROTEIN 4

(Staphylococcus
aureus) 		PF00768
(Peptidase_S11)
PF09211
(DUF1958) 		6 ALA A  74
SER A  75
LYS A  78
ASN A 141
THR A 260
GLY A 261
 CEW  A 501 ( 4.1A)
CEW  A 501 (-2.6A)
None
None
CEW  A 501 ( 4.3A)
CEW  A 501 (-3.1A)
 0.50A 3mzeA-3humA:
34.3		 3mzeA-3humA:
24.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ita D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC

(Escherichia
coli) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		7 ALA A  39
SER A  40
LYS A  43
GLY A  81
ASN A 108
LEU A 149
GLY A 211
 AIX  A 500 (-3.6A)
AIX  A 500 (-1.4A)
None
None
None
None
AIX  A 500 (-3.4A)
 0.82A 3mzeA-3itaA:
47.1		 3mzeA-3itaA:
63.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ita D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC

(Escherichia
coli) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		7 SER A  40
LYS A  43
ASN A 108
LEU A 149
THR A 210
GLY A 211
ARG A 244
 AIX  A 500 (-1.4A)
None
None
None
AIX  A 500 (-4.2A)
AIX  A 500 (-3.4A)
AIX  A 500 (-3.0A)
 0.75A 3mzeA-3itaA:
47.1		 3mzeA-3itaA:
63.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ita D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC

(Escherichia
coli) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		7 SER A  40
LYS A  43
GLY A  81
ASN A 108
LEU A 149
THR A 210
GLY A 211
 AIX  A 500 (-1.4A)
None
None
None
None
AIX  A 500 (-4.2A)
AIX  A 500 (-3.4A)
 0.73A 3mzeA-3itaA:
47.1		 3mzeA-3itaA:
63.13
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.
3lez BETA-LACTAMASE

(Oceanobacillus
iheyensis) 		PF13354
(Beta-lactamase2) 		6 SER A  85
LYS A  88
ASN A 145
THR A 248
GLY A 249
ARG A 256
 EPE  A 305 (-3.4A)
None
None
EPE  A 305 (-3.6A)
EPE  A 305 (-3.4A)
EPE  A 305 (-3.7A)
 0.98A 3mzeA-3lezA:
20.5		 3mzeA-3lezA:
22.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mfd D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACB

(Bacillus
subtilis) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		7 ALA A  59
SER A  60
LYS A  63
ASN A 117
LEU A 158
THR A 221
GLY A 222
 CIT  A   1 ( 4.5A)
CIT  A   1 (-2.5A)
CIT  A   1 ( 4.4A)
None
None
CIT  A   1 (-3.7A)
CIT  A   1 (-3.3A)
 0.44A 3mzeA-3mfdA:
34.9		 3mzeA-3mfdA:
30.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mfd D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACB

(Bacillus
subtilis) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		7 ALA A  59
SER A  60
LYS A  63
ASN A 117
THR A 221
GLY A 222
THR A 224
 CIT  A   1 ( 4.5A)
CIT  A   1 (-2.5A)
CIT  A   1 ( 4.4A)
None
CIT  A   1 (-3.7A)
CIT  A   1 (-3.3A)
None
 0.56A 3mzeA-3mfdA:
34.9		 3mzeA-3mfdA:
30.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p09 BETA-LACTAMASE

(Francisella
tularensis) 		PF13354
(Beta-lactamase2) 		6 SER A  61
LYS A  64
GLY A  97
THR A 227
GLY A 228
ARG A 212
 SO4  A 288 (-3.1A)
None
None
SO4  A 288 (-3.6A)
SO4  A 288 (-3.3A)
SO4  A 288 ( 4.4A)
 1.14A 3mzeA-3p09A:
21.7		 3mzeA-3p09A:
18.75
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.
3qhy BETA-LACTAMASE

(Bacillus
anthracis) 		PF13354
(Beta-lactamase2) 		6 ALA A  69
SER A  70
LYS A  73
ASN A 132
GLY A 236
ARG A 244
 None
 0.89A 3mzeA-3qhyA:
20.9		 3mzeA-3qhyA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rju BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE

(Yersinia pestis) 		PF00144
(Beta-lactamase) 		6 ALA A  58
SER A  59
LYS A  62
ASN A 158
THR A 300
GLY A 301
 CIT  A 391 ( 4.1A)
CIT  A 391 (-2.5A)
CIT  A 391 ( 4.4A)
CIT  A 391 ( 4.7A)
CIT  A 391 (-3.4A)
CIT  A 391 (-3.3A)
 0.51A 3mzeA-3rjuA:
15.3		 3mzeA-3rjuA:
23.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3upn PENICILLIN-BINDING
PROTEIN A

(Mycobacterium
tuberculosis) 		PF00905
(Transpeptidase) 		6 SER A 222
LYS A 225
GLY A 262
ASN A 283
THR A 425
GLY A 426
 IM2  A 800 (-1.3A)
IM2  A 800 ( 4.5A)
None
IM2  A 800 (-3.3A)
IM2  A 800 (-3.5A)
IM2  A 800 (-3.4A)
 0.82A 3mzeA-3upnA:
6.0		 3mzeA-3upnA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v39 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Bdellovibrio
bacteriovorus) 		PF02113
(Peptidase_S13) 		6 ALA A  69
SER A  70
LYS A  73
ASN A 253
THR A 358
GLY A 359
 TAU  A 501 (-3.4A)
TAU  A 501 (-1.5A)
TAU  A 501 ( 3.7A)
TAU  A 501 (-3.1A)
None
TAU  A 501 (-3.5A)
 0.36A 3mzeA-3v39A:
7.8		 3mzeA-3v39A:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wrt BETA-LACTAMASE

(Chromohalobacter
sp. 560) 		PF00144
(Beta-lactamase) 		6 SER A  65
LYS A  68
ASN A 153
GLY A 318
THR A 320
ARG A 350
 None
 1.11A 3mzeA-3wrtA:
14.3		 3mzeA-3wrtA:
23.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wrt BETA-LACTAMASE

(Chromohalobacter
sp. 560) 		PF00144
(Beta-lactamase) 		6 SER A  65
LYS A  68
ASN A 153
THR A 317
GLY A 318
THR A 320
 None
 0.78A 3mzeA-3wrtA:
14.3		 3mzeA-3wrtA:
23.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zdj ENCA BETA-LACTAMASE

(synthetic
construct) 		PF13354
(Beta-lactamase2) 		6 SER A  70
LYS A  73
ASN A 132
THR A 235
GLY A 236
ARG A 244
 SO4  A1291 (-3.4A)
None
None
SO4  A1291 (-3.6A)
SO4  A1291 (-3.3A)
SO4  A1291 ( 3.6A)
 1.04A 3mzeA-3zdjA:
20.9		 3mzeA-3zdjA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zg8 PENICILLIN-BINDING
PROTEIN 4

(Listeria
monocytogenes) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		6 SER B 394
LYS B 397
ASN B 451
THR B 576
GLY B 577
THR B 579
 AIX  B 800 (-0.2A)
AIX  B 800 ( 3.1A)
AIX  B 800 (-2.7A)
AIX  B 800 (-3.4A)
AIX  B 800 ( 3.7A)
GOL  B1643 (-4.3A)
 0.96A 3mzeA-3zg8B:
5.6		 3mzeA-3zg8B:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp. R39) 		PF02113
(Peptidase_S13) 		6 ALA A  48
LYS A  52
ASN A 300
LEU A 349
THR A 411
GLY A 412
 B07  A 500 (-3.8A)
B07  A 500 (-3.4A)
B07  A 500 ( 4.2A)
B07  A 500 ( 4.9A)
B07  A 500 (-4.8A)
B07  A 500 (-3.2A)
 0.62A 3mzeA-3zvtA:
19.4		 3mzeA-3zvtA:
24.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp. R39) 		PF02113
(Peptidase_S13) 		6 ALA A  48
SER A  49
LYS A  52
ASN A 300
THR A 411
GLY A 412
 B07  A 500 (-3.8A)
B07  A 500 (-1.4A)
B07  A 500 (-3.4A)
B07  A 500 ( 4.2A)
B07  A 500 (-4.8A)
B07  A 500 (-3.2A)
 0.71A 3mzeA-3zvtA:
19.4		 3mzeA-3zvtA:
24.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c6y BETA-LACTAMASE

(synthetic
construct) 		PF13354
(Beta-lactamase2) 		6 SER A  70
LYS A  73
ASN A 132
THR A 235
GLY A 236
ARG A 220
 PEG  A 307 (-2.4A)
PEG  A 307 ( 3.6A)
PEG  A 307 (-3.1A)
PEG  A 307 (-3.0A)
PEG  A 307 (-2.7A)
PEG  A 307 ( 3.6A)
 0.77A 3mzeA-4c6yA:
21.9		 3mzeA-4c6yA:
18.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c75 BETA-LACTAMASE

(synthetic
construct) 		PF13354
(Beta-lactamase2) 		6 SER A  70
LYS A  73
ASN A 132
THR A 235
GLY A 236
ARG A 244
 NA  A 294 ( 2.5A)
SO4  A 291 ( 4.6A)
None
SO4  A 291 (-3.8A)
NA  A 294 ( 3.2A)
SO4  A 291 (-4.1A)
 1.09A 3mzeA-4c75A:
21.2		 3mzeA-4c75A:
20.55
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.
4d2o PER-2 BETA-LACTAMASE

(Citrobacter
freundii) 		PF13354
(Beta-lactamase2) 		6 SER A  70
LYS A  73
ASN A 132
THR A 235
GLY A 236
ARG A 220
 None
 0.76A 3mzeA-4d2oA:
20.4		 3mzeA-4d2oA:
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.
4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1

(Serratia
fonticola) 		PF13354
(Beta-lactamase2) 		6 SER A  70
LYS A  73
ASN A 132
THR A 235
GLY A 236
ARG A 220
 MER  A 401 (-1.3A)
MER  A 401 ( 4.4A)
MER  A 401 (-3.2A)
MER  A 401 (-3.5A)
MER  A 401 (-3.6A)
MER  A 401 ( 3.9A)
 0.77A 3mzeA-4ev4A:
21.8		 3mzeA-4ev4A:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ewf BETA-LACTAMASE

(Sphaerobacter
thermophilus) 		PF13354
(Beta-lactamase2) 		7 ALA A  48
SER A  49
LYS A  52
ASN A 112
THR A 214
GLY A 215
ARG A 197
 None
SO4  A 301 (-3.1A)
None
None
SO4  A 301 (-3.8A)
SO4  A 301 (-3.5A)
SO4  A 301 ( 3.7A)
 0.65A 3mzeA-4ewfA:
22.5		 3mzeA-4ewfA:
22.58
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.
4gb7 6-AMINOHEXANOATE-DIM
ER HYDROLASE

(Bacillus
anthracis) 		PF00144
(Beta-lactamase) 		6 ALA A 136
SER A 137
LYS A 140
ASN A 248
LEU A 208
GLY A 370
 None
NO3  A 601 (-3.2A)
None
None
None
NO3  A 601 (-3.3A)
 1.13A 3mzeA-4gb7A:
13.6		 3mzeA-4gb7A:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hes BETA-LACTAMASE CLASS
A-LIKE PROTEIN

(Veillonella
parvula) 		PF13354
(Beta-lactamase2) 		6 ALA A  55
SER A  56
LYS A  59
ASN A 119
THR A 218
GLY A 219
 None
GOL  A 301 (-3.0A)
GOL  A 301 ( 4.2A)
None
GOL  A 301 (-3.7A)
GOL  A 301 (-3.5A)
 0.45A 3mzeA-4hesA:
21.9		 3mzeA-4hesA:
22.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4k91 D-ALA-D-ALA-CARBOXYP
EPTIDASE

(Pseudomonas
aeruginosa) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		6 ALA A  40
SER A  41
GLY A  76
ARG A 189
THR A 204
GLY A 205
 SIN  A 601 (-3.2A)
SIN  A 601 (-2.9A)
None
SIN  A 601 ( 4.7A)
SIN  A 601 (-3.8A)
SIN  A 601 (-3.2A)
 1.21A 3mzeA-4k91A:
42.1		 3mzeA-4k91A:
47.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4k91 D-ALA-D-ALA-CARBOXYP
EPTIDASE

(Pseudomonas
aeruginosa) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		8 ALA A  40
SER A  41
LYS A  44
ASN A 103
ARG A 189
THR A 204
GLY A 205
THR A 207
 SIN  A 601 (-3.2A)
SIN  A 601 (-2.9A)
None
None
SIN  A 601 ( 4.7A)
SIN  A 601 (-3.8A)
SIN  A 601 (-3.2A)
None
 0.78A 3mzeA-4k91A:
42.1		 3mzeA-4k91A:
47.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ppr PENICILLIN-BINDING
PROTEIN DACB1

(Mycobacterium
tuberculosis) 		PF00768
(Peptidase_S11) 		7 ALA A 120
SER A 121
LYS A 124
ASN A 178
LEU A 218
THR A 283
GLY A 284
 MER  A 400 (-3.5A)
MER  A 400 (-1.3A)
MER  A 400 ( 4.1A)
MER  A 400 (-3.0A)
MER  A 400 (-4.2A)
MER  A 400 (-3.6A)
MER  A 400 (-3.1A)
 0.45A 3mzeA-4pprA:
31.8		 3mzeA-4pprA:
23.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ppr PENICILLIN-BINDING
PROTEIN DACB1

(Mycobacterium
tuberculosis) 		PF00768
(Peptidase_S11) 		7 ALA A 120
SER A 121
LYS A 124
ASN A 178
THR A 283
GLY A 284
THR A 286
 MER  A 400 (-3.5A)
MER  A 400 (-1.3A)
MER  A 400 ( 4.1A)
MER  A 400 (-3.0A)
MER  A 400 (-3.6A)
MER  A 400 (-3.1A)
MER  A 400 ( 4.9A)
 0.59A 3mzeA-4pprA:
31.8		 3mzeA-4pprA:
23.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Mycobacterium
tuberculosis) 		PF00768
(Peptidase_S11) 		7 ALA A  68
SER A  69
LYS A  72
ASN A 126
LEU A 166
THR A 231
GLY A 232
 None
 0.48A 3mzeA-4ryeA:
33.6		 3mzeA-4ryeA:
32.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Mycobacterium
tuberculosis) 		PF00768
(Peptidase_S11) 		7 ALA A  68
SER A  69
LYS A  72
ASN A 126
THR A 231
GLY A 232
THR A 234
 None
 0.63A 3mzeA-4ryeA:
33.6		 3mzeA-4ryeA:
32.69
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.
4u0t ADC-7 BETA-LACTAMASE

(Acinetobacter
baumannii) 		PF00144
(Beta-lactamase) 		6 SER A  64
LYS A  67
ASN A 152
GLY A 314
THR A 316
ARG A 346
 PO4  A 401 (-2.8A)
None
None
PO4  A 401 (-3.4A)
None
None
 1.08A 3mzeA-4u0tA:
14.6		 3mzeA-4u0tA:
22.47
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.
4u0t ADC-7 BETA-LACTAMASE

(Acinetobacter
baumannii) 		PF00144
(Beta-lactamase) 		6 SER A  64
LYS A  67
ASN A 152
THR A 313
GLY A 314
THR A 316
 PO4  A 401 (-2.8A)
None
None
PO4  A 401 (-4.0A)
PO4  A 401 (-3.4A)
None
 0.77A 3mzeA-4u0tA:
14.6		 3mzeA-4u0tA:
22.47
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.
4x68 BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF00144
(Beta-lactamase) 		6 SER A  90
LYS A  93
ASN A 179
GLY A 344
THR A 346
ARG A 376
 OP0  A 401 (-1.3A)
OP0  A 401 ( 4.2A)
OP0  A 401 (-3.5A)
OP0  A 401 (-3.3A)
None
None
 0.95A 3mzeA-4x68A:
15.1		 3mzeA-4x68A:
23.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x68 BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF00144
(Beta-lactamase) 		6 SER A  90
LYS A  93
ASN A 179
THR A 343
GLY A 344
THR A 346
 OP0  A 401 (-1.3A)
OP0  A 401 ( 4.2A)
OP0  A 401 (-3.5A)
OP0  A 401 (-4.0A)
OP0  A 401 (-3.3A)
None
 0.69A 3mzeA-4x68A:
15.1		 3mzeA-4x68A:
23.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dgq PUTATIVE
ENDOGLUCANASE-RELATE
D PROTEIN

(Photobacterium
profundum) 		PF00759
(Glyco_hydro_9) 		6 ALA A 369
ASN A 441
LEU A 157
ARG A 552
THR A 527
GLY A 449
 None
 1.28A 3mzeA-5dgqA:
undetectable		 3mzeA-5dgqA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e43 BETA-LACTAMASE

(Streptosporangium
roseum) 		PF13354
(Beta-lactamase2) 		6 SER A  70
LYS A  73
ASN A 133
THR A 236
GLY A 237
ARG A 221
 ACT  A 311 (-3.2A)
None
None
ACT  A 311 (-3.7A)
ACT  A 311 (-3.2A)
ACT  A 311 (-4.5A)
 0.75A 3mzeA-5e43A:
21.7		 3mzeA-5e43A:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5evi BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE

(Pseudomonas
syringae group
genomosp. 3) 		PF00144
(Beta-lactamase) 		6 SER B  63
LYS B  66
ASN B 151
GLY B 315
THR B 317
ARG B 347
 None
 0.99A 3mzeA-5eviB:
7.0		 3mzeA-5eviB:
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.
5evi BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE

(Pseudomonas
syringae group
genomosp. 3) 		PF00144
(Beta-lactamase) 		6 SER B  63
LYS B  66
ASN B 151
THR B 314
GLY B 315
THR B 317
 None
 0.72A 3mzeA-5eviB:
7.0		 3mzeA-5eviB:
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.
5evl BETA-LACTAMASE

(Chromobacterium
violaceum) 		PF00144
(Beta-lactamase) 		6 SER A  65
LYS A  68
ASN A 153
GLY A 317
THR A 319
ARG A 349
 SO4  A 403 (-2.6A)
None
None
SO4  A 403 (-3.5A)
None
SO4  A 403 ( 4.8A)
 1.00A 3mzeA-5evlA:
7.0		 3mzeA-5evlA:
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.
5evl BETA-LACTAMASE

(Chromobacterium
violaceum) 		PF00144
(Beta-lactamase) 		6 SER A  65
LYS A  68
ASN A 153
THR A 316
GLY A 317
THR A 319
 SO4  A 403 (-2.6A)
None
None
SO4  A 403 (-4.0A)
SO4  A 403 (-3.5A)
None
 0.68A 3mzeA-5evlA:
7.0		 3mzeA-5evlA:
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.
5f83 BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		6 SER A  64
LYS A  67
ASN A 127
THR A 230
GLY A 231
ARG A 238
 IM2  A 301 (-1.4A)
IM2  A 301 ( 3.9A)
IM2  A 301 (-3.2A)
IM2  A 301 (-3.6A)
IM2  A 301 (-3.3A)
IM2  A 301 (-3.5A)
 0.93A 3mzeA-5f83A:
22.4		 3mzeA-5f83A:
24.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fsr D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACD

(Escherichia
coli) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		6 ALA A  41
LYS A  45
GLY A  83
ASN A 110
LEU A 151
ARG A 196
 None
 1.01A 3mzeA-5fsrA:
40.4		 3mzeA-5fsrA:
47.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fsr D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACD

(Escherichia
coli) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		6 ALA A  41
LYS A  45
GLY A  83
ASN A 110
LEU A 151
GLY A 213
 None
 0.69A 3mzeA-5fsrA:
40.4		 3mzeA-5fsrA:
47.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fsr D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACD

(Escherichia
coli) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		6 ALA A  41
SER A  42
LYS A  45
GLY A  83
LEU A 151
ARG A 196
 None
 1.11A 3mzeA-5fsrA:
40.4		 3mzeA-5fsrA:
47.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fsr D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACD

(Escherichia
coli) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		6 ALA A  41
SER A  42
LYS A  45
GLY A  83
LEU A 151
GLY A 213
 None
 0.84A 3mzeA-5fsrA:
40.4		 3mzeA-5fsrA:
47.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gl9 BETA-LACTAMASE

(Burkholderia
thailandensis) 		PF13354
(Beta-lactamase2) 		6 SER A  70
LYS A  73
ASN A 132
THR A 235
GLY A 236
ARG A 220
 None
 0.80A 3mzeA-5gl9A:
21.7		 3mzeA-5gl9A:
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.
5hlb PENICILLIN-BINDING
PROTEIN 1B

(Escherichia
coli) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF14814
(UB2H) 		6 SER A 510
LYS A 513
ASN A 574
THR A 699
GLY A 700
THR A 702
 AZR  A 902 (-1.4A)
AZR  A 902 ( 4.0A)
AZR  A 902 (-3.4A)
AZR  A 902 (-3.5A)
AZR  A 902 (-3.3A)
AZR  A 902 (-4.1A)
 0.87A 3mzeA-5hlbA:
15.1		 3mzeA-5hlbA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ksh PENICILLIN-BINDING
PROTEIN 2

(Neisseria
gonorrhoeae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		6 SER A 310
LYS A 313
ASN A 364
THR A 498
GLY A 499
THR A 501
 None
 1.04A 3mzeA-5kshA:
5.5		 3mzeA-5kshA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ll7 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 6 SER A  70
ASN A 132
LEU A 167
THR A 235
GLY A 236
ARG A 220
 6YV  A 301 (-1.7A)
6YV  A 301 (-3.7A)
None
6YV  A 301 (-3.6A)
6YV  A 301 ( 4.0A)
6YV  A 301 ( 3.7A)
 0.87A 3mzeA-5ll7A:
21.3		 3mzeA-5ll7A:
11.85
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.
5ll7 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 6 SER A  70
LYS A  73
ASN A 132
THR A 235
GLY A 236
ARG A 220
 6YV  A 301 (-1.7A)
6YV  A 301 ( 3.8A)
6YV  A 301 (-3.7A)
6YV  A 301 (-3.6A)
6YV  A 301 ( 4.0A)
6YV  A 301 ( 3.7A)
 0.73A 3mzeA-5ll7A:
21.3		 3mzeA-5ll7A:
11.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tr7 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Vibrio cholerae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		6 ALA A  65
LYS A  69
THR A 233
GLY A 234
THR A 236
ARG A 267
 None
None
None
None
None
NO2  A 403 (-3.7A)
 1.28A 3mzeA-5tr7A:
41.3		 3mzeA-5tr7A:
58.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tr7 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Vibrio cholerae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		8 ALA A  65
SER A  66
LYS A  69
ASN A 131
LEU A 172
THR A 233
GLY A 234
ARG A 267
 None
None
None
None
None
None
None
NO2  A 403 (-3.7A)
 0.76A 3mzeA-5tr7A:
41.3		 3mzeA-5tr7A:
58.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tr7 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Vibrio cholerae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		6 ALA A  65
SER A  66
LYS A  69
LEU A 172
ARG A 217
THR A 233
 None
 1.30A 3mzeA-5tr7A:
41.3		 3mzeA-5tr7A:
58.47
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.
5ty7 PENICILLIN-BINDING
PROTEIN 4

(Staphylococcus
aureus) 		no annotation 6 ALA A  74
SER A  75
LYS A  78
ASN A 141
THR A 260
GLY A 261
 NFF  A 401 ( 3.7A)
NFF  A 401 (-1.1A)
NFF  A 401 ( 4.4A)
None
NFF  A 401 (-3.9A)
NFF  A 401 (-3.7A)
 0.54A 3mzeA-5ty7A:
33.6		 3mzeA-5ty7A:
13.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x5g BETA-LACTAMASE

(Serratia
marcescens) 		PF13354
(Beta-lactamase2) 		6 SER A  56
LYS A  59
ASN A 122
THR A 225
GLY A 226
ARG A 210
 OP0  A 305 (-1.5A)
OP0  A 305 (-3.6A)
OP0  A 305 (-3.1A)
OP0  A 305 (-3.7A)
OP0  A 305 (-3.2A)
OP0  A 305 (-3.6A)
 0.78A 3mzeA-5x5gA:
14.6		 3mzeA-5x5gA:
23.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5za2 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 6 SER A  64
LYS A  67
ASN A 152
GLY A 316
THR A 318
ARG A 348
 NXL  A 401 (-1.3A)
NXL  A 401 ( 3.8A)
NXL  A 401 (-3.6A)
NXL  A 401 (-3.4A)
EPE  A 405 (-4.1A)
None
 0.97A 3mzeA-5za2A:
14.8		 3mzeA-5za2A:
14.33
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.
5za2 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 6 SER A  64
LYS A  67
ASN A 152
THR A 315
GLY A 316
THR A 318
 NXL  A 401 (-1.3A)
NXL  A 401 ( 3.8A)
NXL  A 401 (-3.6A)
NXL  A 401 (-4.0A)
NXL  A 401 (-3.4A)
EPE  A 405 (-4.1A)
 0.67A 3mzeA-5za2A:
14.8		 3mzeA-5za2A:
14.33
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.
5zqe -

(-) 		no annotation 9 ALA A  57
SER A  58
LYS A  61
ASN A 120
LEU A 160
THR A 223
GLY A 224
THR A 226
ARG A 257
 CES  A 301 (-3.5A)
CES  A 301 (-1.3A)
CES  A 301 ( 4.1A)
CES  A 301 (-3.3A)
None
CES  A 301 (-3.6A)
CES  A 301 (-3.2A)
CES  A 301 (-4.4A)
CES  A 301 (-2.9A)
 0.63A 3mzeA-5zqeA:
33.7		 3mzeA-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
ASN A 127
LEU A 168
THR A 233
GLY A 234
 SEE  A  68 ( 2.7A)
SEE  A  68 ( 2.8A)
SEE  A  68 ( 3.6A)
None
None
SEE  A  68 ( 3.9A)
 0.47A 3mzeA-6aziA:
30.2		 3mzeA-6aziA:
26.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6azi D-ALANYL-D-ALANINE
ENDOPEPTIDASE

(Enterobacter
cloacae) 		PF00768
(Peptidase_S11) 		6 ALA A  67
LYS A  71
ASN A 127
THR A 233
GLY A 234
THR A 236
 SEE  A  68 ( 2.7A)
SEE  A  68 ( 2.8A)
SEE  A  68 ( 3.6A)
None
SEE  A  68 ( 3.9A)
None
 0.60A 3mzeA-6aziA:
30.2		 3mzeA-6aziA:
26.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fm7 BETA-LACTAMASE

(Aeromonas
enteropelogenes) 		no annotation 6 SER A  62
LYS A  65
ASN A 150
GLY A 314
THR A 316
ARG A 346
 NXL  A 401 (-1.4A)
NXL  A 401 ( 3.9A)
NXL  A 401 (-3.5A)
NXL  A 401 (-3.3A)
None
None
 0.98A 3mzeA-6fm7A:
14.7		 3mzeA-6fm7A:
12.36
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.
6fm7 BETA-LACTAMASE

(Aeromonas
enteropelogenes) 		no annotation 6 SER A  62
LYS A  65
ASN A 150
THR A 313
GLY A 314
THR A 316
 NXL  A 401 (-1.4A)
NXL  A 401 ( 3.9A)
NXL  A 401 (-3.5A)
NXL  A 401 (-3.5A)
NXL  A 401 (-3.3A)
None
 0.68A 3mzeA-6fm7A:
14.7		 3mzeA-6fm7A:
12.36
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.
6gdt -

(-) 		no annotation 6 ALA A 361
ASN A 433
LEU A 158
ARG A 543
THR A 518
GLY A 441
 None
 1.22A 3mzeA-6gdtA:
undetectable		 3mzeA-6gdtA:
undetectable