SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'MER'


List of Similar Pattern of Amino Acids

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 on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 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.
1GHM_A_CEDA1_1
(BETA-LACTAMASE)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		6 / 12 SER A  70
LYS A  73
SER A 130
ASN A 132
LYS A 234
GLY A 236
 MER  A 301 (-1.3A)
MER  A 301 ( 3.8A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.2A)
MER  A 301 (-3.0A)
 0.39A 1ghmA-3bfgA:
38.4		 1ghmA-3bfgA:
34.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1GHM_A_CEDA1_1
(BETA-LACTAMASE)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		6 / 12 SER A  70
LYS A  73
SER A 130
ASN A 132
LYS A 234
GLY A 236
 MER  A 401 (-1.3A)
MER  A 401 ( 4.4A)
MER  A 401 (-2.8A)
MER  A 401 (-3.2A)
MER  A 401 (-3.0A)
MER  A 401 (-3.6A)
 0.37A 1ghmA-4ev4A:
37.5		 1ghmA-4ev4A:
31.60
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.
1GHM_A_CEDA1_1
(BETA-LACTAMASE)		 4ppr PENICILLIN-BINDING
PROTEIN DACB1
(Mycobacterium
tuberculosis) 		7 / 12 ALA A 120
SER A 121
LYS A 124
SER A 176
ASN A 178
LYS A 282
GLY A 284
 MER  A 400 (-3.5A)
MER  A 400 (-1.3A)
MER  A 400 ( 4.1A)
MER  A 400 (-2.5A)
MER  A 400 (-3.0A)
MER  A 400 (-3.0A)
MER  A 400 (-3.1A)
 0.38A 1ghmA-4pprA:
19.6		 1ghmA-4pprA:
20.76
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.
1H7X_A_URFA1033_1
(DIHYDROPYRIMIDINE
DEHYDROGENASE)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		4 / 6 ASN A 136
ASN A 170
ASN A 104
THR A 103
 None
MER  A 301 (-2.6A)
MER  A 301 ( 4.1A)
None
 1.25A 1h7xA-3bfgA:
undetectable		 1h7xA-3bfgA:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1H7X_B_URFB1033_1
(DIHYDROPYRIMIDINE
DEHYDROGENASE)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		4 / 6 ASN A 136
ASN A 170
ASN A 104
THR A 103
 None
MER  A 301 (-2.6A)
MER  A 301 ( 4.1A)
None
 1.22A 1h7xB-3bfgA:
undetectable		 1h7xB-3bfgA:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1H7X_C_URFC1033_1
(DIHYDROPYRIMIDINE
DEHYDROGENASE)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		4 / 6 ASN A 136
ASN A 170
ASN A 104
THR A 103
 None
MER  A 301 (-2.6A)
MER  A 301 ( 4.1A)
None
 1.24A 1h7xC-3bfgA:
undetectable		 1h7xC-3bfgA:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1H7X_D_URFD1033_1
(DIHYDROPYRIMIDINE
DEHYDROGENASE)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		4 / 6 ASN A 136
ASN A 170
ASN A 104
THR A 103
 None
MER  A 301 (-2.6A)
MER  A 301 ( 4.1A)
None
 1.22A 1h7xD-3bfgA:
undetectable		 1h7xD-3bfgA:
13.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I2W_A_CFXA1300_1
(BETA-LACTAMASE)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		10 / 12 SER A  70
LYS A  73
ASN A 104
SER A 130
ASN A 132
GLU A 166
THR A 216
LYS A 234
GLY A 236
ALA A 237
 MER  A 301 (-1.3A)
MER  A 301 ( 3.8A)
MER  A 301 ( 4.1A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.3A)
MER  A 301 (-3.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.0A)
MER  A 301 (-4.2A)
 0.48A 1i2wA-3bfgA:
41.5		 1i2wA-3bfgA:
42.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I2W_A_CFXA1300_1
(BETA-LACTAMASE)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		7 / 12 SER A  70
LYS A  73
SER A 130
ASN A 132
THR A 216
LYS A 234
GLY A 236
 MER  A 401 (-1.3A)
MER  A 401 ( 4.4A)
MER  A 401 (-2.8A)
MER  A 401 (-3.2A)
MER  A 401 ( 3.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.6A)
 0.40A 1i2wA-4ev4A:
40.5		 1i2wA-4ev4A:
45.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1I2W_A_CFXA1300_1
(BETA-LACTAMASE)		 4ppr PENICILLIN-BINDING
PROTEIN DACB1
(Mycobacterium
tuberculosis) 		7 / 12 ALA A 120
SER A 121
LYS A 124
SER A 176
ASN A 178
LYS A 282
GLY A 284
 MER  A 400 (-3.5A)
MER  A 400 (-1.3A)
MER  A 400 ( 4.1A)
MER  A 400 (-2.5A)
MER  A 400 (-3.0A)
MER  A 400 (-3.0A)
MER  A 400 (-3.1A)
 0.40A 1i2wA-4pprA:
20.3		 1i2wA-4pprA:
23.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I2W_B_CFXB2300_1
(BETA-LACTAMASE)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		9 / 12 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.
1I2W_B_CFXB2300_1
(BETA-LACTAMASE)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		6 / 12 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.
1I2W_B_CFXB2300_1
(BETA-LACTAMASE)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		6 / 12 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.
1I2W_B_CFXB2300_1
(BETA-LACTAMASE)		 4ppr PENICILLIN-BINDING
PROTEIN DACB1
(Mycobacterium
tuberculosis) 		6 / 12 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.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		5 / 11 ALA A 237
VAL A 278
LEU A 279
ALA A 280
ALA A 223
 MER  A 301 (-4.2A)
None
None
None
None
 1.08A 1jinA-3bfgA:
undetectable		 1jinA-3bfgA:
21.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YMX_A_CFXA1001_1
(BETA-LACTAMASE
CTX-M-9)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		11 / 12 SER A  70
LYS A  73
ASN A 104
SER A 130
ASN A 132
GLU A 166
ASN A 170
THR A 216
LYS A 234
GLY A 236
ASP A 240
 MER  A 301 (-1.3A)
MER  A 301 ( 3.8A)
MER  A 301 ( 4.1A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.3A)
MER  A 301 (-2.6A)
MER  A 301 (-3.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.0A)
None
 0.39A 1ymxA-3bfgA:
46.9		 1ymxA-3bfgA:
75.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YMX_A_CFXA1001_1
(BETA-LACTAMASE
CTX-M-9)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		8 / 12 SER A  70
LYS A  73
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 236
 MER  A 401 (-1.3A)
MER  A 401 ( 4.4A)
MER  A 401 (-2.8A)
MER  A 401 (-3.2A)
MER  A 401 (-2.9A)
MER  A 401 ( 3.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.6A)
 0.56A 1ymxA-4ev4A:
42.4		 1ymxA-4ev4A:
48.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YMX_A_CFXA1001_1
(BETA-LACTAMASE
CTX-M-9)		 4ppr PENICILLIN-BINDING
PROTEIN DACB1
(Mycobacterium
tuberculosis) 		6 / 12 SER A 121
LYS A 124
SER A 176
ASN A 178
LYS A 282
GLY A 284
 MER  A 400 (-1.3A)
MER  A 400 ( 4.1A)
MER  A 400 (-2.5A)
MER  A 400 (-3.0A)
MER  A 400 (-3.0A)
MER  A 400 (-3.1A)
 0.28A 1ymxA-4pprA:
20.1		 1ymxA-4pprA:
23.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YMX_B_CFXB1002_1
(BETA-LACTAMASE
CTX-M-9)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		10 / 12 SER A  70
LYS A  73
ASN A 104
SER A 130
ASN A 132
GLU A 166
ASN A 170
LYS A 234
GLY A 236
ASP A 240
 MER  A 301 (-1.3A)
MER  A 301 ( 3.8A)
MER  A 301 ( 4.1A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.3A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.0A)
None
 0.39A 1ymxB-3bfgA:
47.1		 1ymxB-3bfgA:
75.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YMX_B_CFXB1002_1
(BETA-LACTAMASE
CTX-M-9)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		7 / 12 SER A  70
LYS A  73
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
 MER  A 401 (-1.3A)
MER  A 401 ( 4.4A)
MER  A 401 (-2.8A)
MER  A 401 (-3.2A)
MER  A 401 (-2.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.6A)
 0.54A 1ymxB-4ev4A:
42.4		 1ymxB-4ev4A:
48.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YMX_B_CFXB1002_1
(BETA-LACTAMASE
CTX-M-9)		 4ppr PENICILLIN-BINDING
PROTEIN DACB1
(Mycobacterium
tuberculosis) 		6 / 12 SER A 121
LYS A 124
SER A 176
ASN A 178
LYS A 282
GLY A 284
 MER  A 400 (-1.3A)
MER  A 400 ( 4.1A)
MER  A 400 (-2.5A)
MER  A 400 (-3.0A)
MER  A 400 (-3.0A)
MER  A 400 (-3.1A)
 0.27A 1ymxB-4pprA:
20.0		 1ymxB-4pprA:
23.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZW9_B_SAMB801_1
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		4 / 8 ILE A 247
SER A 130
TYR A 264
SER A  72
 None
MER  A 301 (-2.6A)
None
None
 0.95A 2zw9B-3bfgA:
undetectable		 2zw9B-3bfgA:
18.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HLW_A_CE3A301_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		8 / 12 LYS A  73
ASN A 104
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 236
 MER  A 301 ( 3.8A)
MER  A 301 ( 4.1A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-2.6A)
MER  A 301 (-3.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.0A)
 0.44A 3hlwA-3bfgA:
46.5		 3hlwA-3bfgA:
74.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HLW_A_CE3A301_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		7 / 12 LYS A  73
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 236
 MER  A 401 ( 4.4A)
MER  A 401 (-2.8A)
MER  A 401 (-3.2A)
MER  A 401 (-2.9A)
MER  A 401 ( 3.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.6A)
 0.58A 3hlwA-4ev4A:
42.3		 3hlwA-4ev4A:
48.04
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.
3HLW_A_CE3A301_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 4ppr PENICILLIN-BINDING
PROTEIN DACB1
(Mycobacterium
tuberculosis) 		5 / 12 LYS A 124
SER A 176
ASN A 178
LYS A 282
GLY A 284
 MER  A 400 ( 4.1A)
MER  A 400 (-2.5A)
MER  A 400 (-3.0A)
MER  A 400 (-3.0A)
MER  A 400 (-3.1A)
 0.42A 3hlwA-4pprA:
20.2		 3hlwA-4pprA:
22.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HLW_B_CE3B302_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		8 / 12 ASN A 104
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
 MER  A 301 ( 4.1A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-2.6A)
MER  A 301 (-3.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.5A)
MER  A 301 (-3.0A)
 0.43A 3hlwB-3bfgA:
46.9		 3hlwB-3bfgA:
74.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HLW_B_CE3B302_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		7 / 12 SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
 MER  A 401 (-2.8A)
MER  A 401 (-3.2A)
MER  A 401 (-2.9A)
MER  A 401 ( 3.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.5A)
MER  A 401 (-3.6A)
 0.50A 3hlwB-4ev4A:
42.4		 3hlwB-4ev4A:
48.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HLW_B_CE3B302_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		6 / 12 SER A 130
ASN A 132
THR A 216
LYS A 234
THR A 235
GLY A 239
 MER  A 401 (-2.8A)
MER  A 401 (-3.2A)
MER  A 401 ( 3.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.5A)
None
 0.82A 3hlwB-4ev4A:
42.4		 3hlwB-4ev4A:
48.04
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.
3HLW_B_CE3B302_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 4ppr PENICILLIN-BINDING
PROTEIN DACB1
(Mycobacterium
tuberculosis) 		5 / 12 SER A 176
ASN A 178
LYS A 282
THR A 283
GLY A 284
 MER  A 400 (-2.5A)
MER  A 400 (-3.0A)
MER  A 400 (-3.0A)
MER  A 400 (-3.6A)
MER  A 400 (-3.1A)
 0.31A 3hlwB-4pprA:
20.1		 3hlwB-4pprA:
22.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HUO_A_PNNA300_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		8 / 12 LYS A  73
ASN A 104
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
ASP A 240
 MER  A 301 ( 3.8A)
MER  A 301 ( 4.1A)
MER  A 301 (-3.2A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.5A)
MER  A 301 (-3.0A)
None
 0.50A 3huoA-3bfgA:
46.7		 3huoA-3bfgA:
74.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HUO_A_PNNA300_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		6 / 12 LYS A  73
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 MER  A 401 ( 4.4A)
MER  A 401 (-3.2A)
MER  A 401 (-2.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.5A)
MER  A 401 (-3.6A)
 0.47A 3huoA-4ev4A:
42.3		 3huoA-4ev4A:
48.04
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.
3HUO_A_PNNA300_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 4ppr PENICILLIN-BINDING
PROTEIN DACB1
(Mycobacterium
tuberculosis) 		5 / 12 LYS A 124
ASN A 178
LYS A 282
THR A 283
GLY A 284
 MER  A 400 ( 4.1A)
MER  A 400 (-3.0A)
MER  A 400 (-3.0A)
MER  A 400 (-3.6A)
MER  A 400 (-3.1A)
 0.38A 3huoA-4pprA:
20.0		 3huoA-4pprA:
22.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HUO_B_PNNB301_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		7 / 12 LYS A  73
ASN A 104
ASN A 132
ASN A 170
LYS A 234
GLY A 236
ASP A 240
 MER  A 301 ( 3.8A)
MER  A 301 ( 4.1A)
MER  A 301 (-3.2A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.0A)
None
 0.44A 3huoB-3bfgA:
46.8		 3huoB-3bfgA:
74.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HUO_B_PNNB301_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		5 / 12 LYS A  73
ASN A 132
ASN A 170
LYS A 234
GLY A 236
 MER  A 401 ( 4.4A)
MER  A 401 (-3.2A)
MER  A 401 (-2.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.6A)
 0.46A 3huoB-4ev4A:
42.2		 3huoB-4ev4A:
48.04
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.
3MZE_A_CFXA364_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		6 / 12 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.
3MZE_A_CFXA364_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		 4ppr PENICILLIN-BINDING
PROTEIN DACB1
(Mycobacterium
tuberculosis) 		7 / 12 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.
3MZE_A_CFXA364_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		 4ppr PENICILLIN-BINDING
PROTEIN DACB1
(Mycobacterium
tuberculosis) 		7 / 12 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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		8 / 12 SER A  70
SER A 130
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
ASP A 240
 MER  A 301 (-1.3A)
MER  A 301 (-2.6A)
MER  A 301 (-2.6A)
MER  A 301 (-3.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.5A)
MER  A 301 (-3.0A)
None
 0.69A 3ny4A-3bfgA:
40.5		 3ny4A-3bfgA:
46.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		9 / 12 SER A  70
SER A 130
ASN A 170
THR A 216
ARG A 220
LYS A 234
THR A 235
GLY A 236
THR A 237
 MER  A 401 (-1.3A)
MER  A 401 (-2.8A)
MER  A 401 (-2.9A)
MER  A 401 ( 3.9A)
MER  A 401 ( 3.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.5A)
MER  A 401 (-3.6A)
MER  A 401 (-3.7A)
 0.58A 3ny4A-4ev4A:
39.0		 3ny4A-4ev4A:
43.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q07_A_WPPA300_1
(BETA-LACTAMASE)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		8 / 12 LYS A  73
ASN A 104
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
ASP A 240
 MER  A 301 ( 3.8A)
MER  A 301 ( 4.1A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.0A)
None
 0.53A 3q07A-3bfgA:
46.5		 3q07A-3bfgA:
74.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q07_A_WPPA300_1
(BETA-LACTAMASE)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		6 / 12 LYS A  73
SER A 130
THR A 171
ASN A 170
LYS A 234
GLY A 236
 MER  A 301 ( 3.8A)
MER  A 301 (-2.6A)
None
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.0A)
 1.44A 3q07A-3bfgA:
46.5		 3q07A-3bfgA:
74.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q07_A_WPPA300_1
(BETA-LACTAMASE)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		6 / 12 LYS A  73
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
 MER  A 401 ( 4.4A)
MER  A 401 (-2.8A)
MER  A 401 (-3.2A)
MER  A 401 (-2.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.6A)
 0.44A 3q07A-4ev4A:
42.2		 3q07A-4ev4A:
48.04
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.
3Q07_A_WPPA300_1
(BETA-LACTAMASE)		 4ppr PENICILLIN-BINDING
PROTEIN DACB1
(Mycobacterium
tuberculosis) 		5 / 12 LYS A 124
SER A 176
ASN A 178
LYS A 282
GLY A 284
 MER  A 400 ( 4.1A)
MER  A 400 (-2.5A)
MER  A 400 (-3.0A)
MER  A 400 (-3.0A)
MER  A 400 (-3.1A)
 0.43A 3q07A-4pprA:
20.0		 3q07A-4pprA:
22.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q07_B_WPPB400_1
(BETA-LACTAMASE)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		8 / 12 LYS A  73
ASN A 104
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
ASP A 240
 MER  A 301 ( 3.8A)
MER  A 301 ( 4.1A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.0A)
None
 0.43A 3q07B-3bfgA:
46.8		 3q07B-3bfgA:
74.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q07_B_WPPB400_1
(BETA-LACTAMASE)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		6 / 12 LYS A  73
SER A 130
THR A 171
ASN A 170
LYS A 234
GLY A 236
 MER  A 301 ( 3.8A)
MER  A 301 (-2.6A)
None
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.0A)
 1.47A 3q07B-3bfgA:
46.8		 3q07B-3bfgA:
74.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q07_B_WPPB400_1
(BETA-LACTAMASE)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		6 / 12 LYS A  73
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
 MER  A 401 ( 4.4A)
MER  A 401 (-2.8A)
MER  A 401 (-3.2A)
MER  A 401 (-2.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.6A)
 0.56A 3q07B-4ev4A:
39.4		 3q07B-4ev4A:
48.04
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.
3Q07_B_WPPB400_1
(BETA-LACTAMASE)		 4ppr PENICILLIN-BINDING
PROTEIN DACB1
(Mycobacterium
tuberculosis) 		5 / 12 LYS A 124
SER A 176
ASN A 178
LYS A 282
GLY A 284
 MER  A 400 ( 4.1A)
MER  A 400 (-2.5A)
MER  A 400 (-3.0A)
MER  A 400 (-3.0A)
MER  A 400 (-3.1A)
 0.41A 3q07B-4pprA:
19.8		 3q07B-4pprA:
22.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SH8_A_CEDA1_1
(BETA-LACTAMASE)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		8 / 12 SER A  70
ASN A 104
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
ALA A 237
 MER  A 301 (-1.3A)
MER  A 301 ( 4.1A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.2A)
MER  A 301 (-3.5A)
MER  A 301 (-3.0A)
MER  A 301 (-4.2A)
 0.49A 3sh8A-3bfgA:
40.2		 3sh8A-3bfgA:
43.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SH8_A_CEDA1_1
(BETA-LACTAMASE)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		6 / 12 SER A  70
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
 MER  A 401 (-1.3A)
MER  A 401 (-2.8A)
MER  A 401 (-3.2A)
MER  A 401 (-3.0A)
MER  A 401 (-3.5A)
MER  A 401 (-3.6A)
 0.48A 3sh8A-4ev4A:
39.6		 3sh8A-4ev4A:
43.37
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.
3SH8_A_CEDA1_1
(BETA-LACTAMASE)		 4ppr PENICILLIN-BINDING
PROTEIN DACB1
(Mycobacterium
tuberculosis) 		7 / 12 ALA A 120
SER A 121
SER A 176
ASN A 178
LYS A 282
THR A 283
GLY A 284
 MER  A 400 (-3.5A)
MER  A 400 (-1.3A)
MER  A 400 (-2.5A)
MER  A 400 (-3.0A)
MER  A 400 (-3.0A)
MER  A 400 (-3.6A)
MER  A 400 (-3.1A)
 0.31A 3sh8A-4pprA:
20.4		 3sh8A-4pprA:
23.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SH8_B_CEDB1_1
(BETA-LACTAMASE)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		8 / 12 SER A  70
LYS A  73
ASN A 104
SER A 130
ASN A 132
LYS A 234
GLY A 236
ALA A 237
 MER  A 301 (-1.3A)
MER  A 301 ( 3.8A)
MER  A 301 ( 4.1A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.2A)
MER  A 301 (-3.0A)
MER  A 301 (-4.2A)
 0.55A 3sh8B-3bfgA:
40.0		 3sh8B-3bfgA:
43.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SH8_B_CEDB1_1
(BETA-LACTAMASE)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		6 / 12 SER A  70
LYS A  73
SER A 130
ASN A 132
LYS A 234
GLY A 236
 MER  A 401 (-1.3A)
MER  A 401 ( 4.4A)
MER  A 401 (-2.8A)
MER  A 401 (-3.2A)
MER  A 401 (-3.0A)
MER  A 401 (-3.6A)
 0.48A 3sh8B-4ev4A:
39.3		 3sh8B-4ev4A:
43.37
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.
3SH8_B_CEDB1_1
(BETA-LACTAMASE)		 4ppr PENICILLIN-BINDING
PROTEIN DACB1
(Mycobacterium
tuberculosis) 		7 / 12 ALA A 120
SER A 121
LYS A 124
SER A 176
ASN A 178
LYS A 282
GLY A 284
 MER  A 400 (-3.5A)
MER  A 400 (-1.3A)
MER  A 400 ( 4.1A)
MER  A 400 (-2.5A)
MER  A 400 (-3.0A)
MER  A 400 (-3.0A)
MER  A 400 (-3.1A)
 0.44A 3sh8B-4pprA:
20.2		 3sh8B-4pprA:
23.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EUZ_A_MEMA401_1
(CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		8 / 12 LYS A  73
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
 MER  A 301 ( 3.8A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-2.6A)
MER  A 301 (-3.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.5A)
MER  A 301 (-3.0A)
 0.49A 4euzA-3bfgA:
42.7		 4euzA-3bfgA:
51.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EUZ_A_MEMA401_1
(CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		11 / 12 LYS A  73
HIS A 105
SER A 130
ASN A 132
LEU A 167
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
THR A 237
 MER  A 401 ( 4.4A)
MER  A 401 ( 3.7A)
MER  A 401 (-2.8A)
MER  A 401 (-3.2A)
None
MER  A 401 (-2.9A)
MER  A 401 ( 3.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.5A)
MER  A 401 (-3.6A)
MER  A 401 (-3.7A)
 0.57A 4euzA-4ev4A:
50.8		 4euzA-4ev4A:
99.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EUZ_A_MEMA401_1
(CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1)		 4ppr PENICILLIN-BINDING
PROTEIN DACB1
(Mycobacterium
tuberculosis) 		6 / 12 LYS A 124
SER A 176
ASN A 178
LYS A 282
THR A 283
GLY A 284
 MER  A 400 ( 4.1A)
MER  A 400 (-2.5A)
MER  A 400 (-3.0A)
MER  A 400 (-3.0A)
MER  A 400 (-3.6A)
MER  A 400 (-3.1A)
 0.47A 4euzA-4pprA:
19.7		 4euzA-4pprA:
23.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EUZ_A_MEMA401_1
(CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1)		 4ppr PENICILLIN-BINDING
PROTEIN DACB1
(Mycobacterium
tuberculosis) 		6 / 12 SER A 176
ASN A 178
LEU A 218
LYS A 282
THR A 283
GLY A 284
 MER  A 400 (-2.5A)
MER  A 400 (-3.0A)
MER  A 400 (-4.2A)
MER  A 400 (-3.0A)
MER  A 400 (-3.6A)
MER  A 400 (-3.1A)
 0.79A 4euzA-4pprA:
19.7		 4euzA-4pprA:
23.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FH2_A_0RNA303_1
(BETA-LACTAMASE SHV-1)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		6 / 10 SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
ALA A 237
 MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.2A)
MER  A 301 (-3.5A)
MER  A 301 (-3.0A)
MER  A 301 (-4.2A)
 0.52A 4fh2A-3bfgA:
36.0		 4fh2A-3bfgA:
40.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FH2_A_0RNA303_1
(BETA-LACTAMASE SHV-1)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		5 / 10 SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
 MER  A 401 (-2.8A)
MER  A 401 (-3.2A)
MER  A 401 (-3.0A)
MER  A 401 (-3.5A)
MER  A 401 (-3.6A)
 0.56A 4fh2A-4ev4A:
35.2		 4fh2A-4ev4A:
37.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N9K_A_CEDA301_1
(BETA-LACTAMASE)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		9 / 12 SER A  70
ASN A 104
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
ALA A 237
 MER  A 301 (-1.3A)
MER  A 301 ( 4.1A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.5A)
MER  A 301 (-3.0A)
MER  A 301 (-4.2A)
 0.47A 4n9kA-3bfgA:
42.1		 4n9kA-3bfgA:
42.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N9K_A_CEDA301_1
(BETA-LACTAMASE)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		7 / 12 SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 MER  A 401 (-1.3A)
MER  A 401 (-2.8A)
MER  A 401 (-3.2A)
MER  A 401 (-2.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.5A)
MER  A 401 (-3.6A)
 0.40A 4n9kA-4ev4A:
41.1		 4n9kA-4ev4A:
43.37
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.
4N9K_A_CEDA301_1
(BETA-LACTAMASE)		 4ppr PENICILLIN-BINDING
PROTEIN DACB1
(Mycobacterium
tuberculosis) 		7 / 12 ALA A 120
SER A 121
SER A 176
ASN A 178
LYS A 282
THR A 283
GLY A 284
 MER  A 400 (-3.5A)
MER  A 400 (-1.3A)
MER  A 400 (-2.5A)
MER  A 400 (-3.0A)
MER  A 400 (-3.0A)
MER  A 400 (-3.6A)
MER  A 400 (-3.1A)
 0.28A 4n9kA-4pprA:
20.5		 4n9kA-4pprA:
24.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N9K_B_CEDB301_1
(BETA-LACTAMASE)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		9 / 12 SER A  70
ASN A 104
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
ALA A 237
 MER  A 301 (-1.3A)
MER  A 301 ( 4.1A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.5A)
MER  A 301 (-3.0A)
MER  A 301 (-4.2A)
 0.50A 4n9kB-3bfgA:
41.9		 4n9kB-3bfgA:
42.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N9K_B_CEDB301_1
(BETA-LACTAMASE)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		7 / 12 SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 MER  A 401 (-1.3A)
MER  A 401 (-2.8A)
MER  A 401 (-3.2A)
MER  A 401 (-2.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.5A)
MER  A 401 (-3.6A)
 0.43A 4n9kB-4ev4A:
40.9		 4n9kB-4ev4A:
43.37
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.
4N9K_B_CEDB301_1
(BETA-LACTAMASE)		 4ppr PENICILLIN-BINDING
PROTEIN DACB1
(Mycobacterium
tuberculosis) 		7 / 12 ALA A 120
SER A 121
SER A 176
ASN A 178
LYS A 282
THR A 283
GLY A 284
 MER  A 400 (-3.5A)
MER  A 400 (-1.3A)
MER  A 400 (-2.5A)
MER  A 400 (-3.0A)
MER  A 400 (-3.0A)
MER  A 400 (-3.6A)
MER  A 400 (-3.1A)
 0.34A 4n9kB-4pprA:
20.6		 4n9kB-4pprA:
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.
4PGF_B_ADNB502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		4 / 5 THR A 103
THR A 133
THR A  76
ASN A 170
 None
None
None
MER  A 301 (-2.6A)
 1.36A 4pgfB-3bfgA:
undetectable		 4pgfB-3bfgA:
20.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PM5_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		7 / 12 ASN A 104
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
 MER  A 301 ( 4.1A)
MER  A 301 (-3.2A)
MER  A 301 (-2.6A)
MER  A 301 (-3.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.5A)
MER  A 301 (-3.0A)
 0.43A 4pm5A-3bfgA:
46.9		 4pm5A-3bfgA:
75.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PM5_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		7 / 12 ASN A 104
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 MER  A 301 ( 4.1A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.5A)
MER  A 301 (-3.0A)
 0.66A 4pm5A-3bfgA:
46.9		 4pm5A-3bfgA:
75.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PM5_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		6 / 12 ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
 MER  A 401 (-3.2A)
MER  A 401 (-2.9A)
MER  A 401 ( 3.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.5A)
MER  A 401 (-3.6A)
 0.46A 4pm5A-4ev4A:
42.1		 4pm5A-4ev4A:
48.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PM5_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		6 / 12 SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 MER  A 401 (-2.8A)
MER  A 401 (-3.2A)
MER  A 401 (-2.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.5A)
MER  A 401 (-3.6A)
 0.75A 4pm5A-4ev4A:
42.1		 4pm5A-4ev4A:
48.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PM7_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		8 / 12 LYS A  73
ASN A 104
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 236
ALA A 237
 MER  A 301 ( 3.8A)
MER  A 301 ( 4.1A)
MER  A 301 (-3.2A)
MER  A 301 (-2.6A)
MER  A 301 (-3.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.0A)
MER  A 301 (-4.2A)
 0.51A 4pm7A-3bfgA:
46.8		 4pm7A-3bfgA:
75.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PM7_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		8 / 12 LYS A  73
ASN A 104
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
ALA A 237
 MER  A 301 ( 3.8A)
MER  A 301 ( 4.1A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.0A)
MER  A 301 (-4.2A)
 0.68A 4pm7A-3bfgA:
46.8		 4pm7A-3bfgA:
75.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PM7_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		6 / 12 LYS A  73
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 236
 MER  A 401 ( 4.4A)
MER  A 401 (-3.2A)
MER  A 401 (-2.9A)
MER  A 401 ( 3.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.6A)
 0.58A 4pm7A-4ev4A:
42.0		 4pm7A-4ev4A:
48.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PM9_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		8 / 12 ASN A 104
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
ALA A 237
 MER  A 301 ( 4.1A)
MER  A 301 (-3.2A)
MER  A 301 (-2.6A)
MER  A 301 (-3.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.5A)
MER  A 301 (-3.0A)
MER  A 301 (-4.2A)
 0.49A 4pm9A-3bfgA:
47.0		 4pm9A-3bfgA:
75.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PM9_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		7 / 12 ASN A 104
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
ALA A 237
 MER  A 301 ( 4.1A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.0A)
MER  A 301 (-4.2A)
 0.69A 4pm9A-3bfgA:
47.0		 4pm9A-3bfgA:
75.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PM9_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		6 / 12 ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
 MER  A 401 (-3.2A)
MER  A 401 (-2.9A)
MER  A 401 ( 3.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.5A)
MER  A 401 (-3.6A)
 0.47A 4pm9A-4ev4A:
41.9		 4pm9A-4ev4A:
48.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PM9_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		6 / 12 SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 MER  A 401 (-2.8A)
MER  A 401 (-3.2A)
MER  A 401 (-2.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.5A)
MER  A 401 (-3.6A)
 0.75A 4pm9A-4ev4A:
41.9		 4pm9A-4ev4A:
48.06
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.
4ZXI_A_GLYA1402_0
(TYROCIDINE
SYNTHETASE 3)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		4 / 7 ASP A 246
ILE A 221
GLY A 232
THR A 235
 None
None
None
MER  A 401 (-3.5A)
 1.16A 4zxiA-4ev4A:
undetectable		 4zxiA-4ev4A:
12.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GHY_A_CEDA301_1
(BETA-LACTAMASE)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		7 / 12 SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
ALA A 237
 MER  A 301 (-1.3A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.0A)
MER  A 301 (-4.2A)
 0.47A 5ghyA-3bfgA:
41.7		 5ghyA-3bfgA:
42.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GHY_A_CEDA301_1
(BETA-LACTAMASE)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		6 / 12 SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
 MER  A 401 (-1.3A)
MER  A 401 (-2.8A)
MER  A 401 (-3.2A)
MER  A 401 (-2.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.6A)
 0.50A 5ghyA-4ev4A:
40.9		 5ghyA-4ev4A:
43.37
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.
5GHY_A_CEDA301_1
(BETA-LACTAMASE)		 4ppr PENICILLIN-BINDING
PROTEIN DACB1
(Mycobacterium
tuberculosis) 		6 / 12 ALA A 120
SER A 121
SER A 176
ASN A 178
LYS A 282
GLY A 284
 MER  A 400 (-3.5A)
MER  A 400 (-1.3A)
MER  A 400 (-2.5A)
MER  A 400 (-3.0A)
MER  A 400 (-3.0A)
MER  A 400 (-3.1A)
 0.30A 5ghyA-4pprA:
20.2		 5ghyA-4pprA:
23.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GHY_B_CEDB301_1
(BETA-LACTAMASE)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		7 / 12 SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
ALA A 237
 MER  A 301 (-1.3A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.0A)
MER  A 301 (-4.2A)
 0.47A 5ghyB-3bfgA:
41.7		 5ghyB-3bfgA:
42.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GHY_B_CEDB301_1
(BETA-LACTAMASE)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		6 / 12 SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
 MER  A 401 (-1.3A)
MER  A 401 (-2.8A)
MER  A 401 (-3.2A)
MER  A 401 (-2.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.6A)
 0.48A 5ghyB-4ev4A:
40.9		 5ghyB-4ev4A:
43.37
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.
5GHY_B_CEDB301_1
(BETA-LACTAMASE)		 4ppr PENICILLIN-BINDING
PROTEIN DACB1
(Mycobacterium
tuberculosis) 		6 / 12 ALA A 120
SER A 121
SER A 176
ASN A 178
LYS A 282
GLY A 284
 MER  A 400 (-3.5A)
MER  A 400 (-1.3A)
MER  A 400 (-2.5A)
MER  A 400 (-3.0A)
MER  A 400 (-3.0A)
MER  A 400 (-3.1A)
 0.29A 5ghyB-4pprA:
20.3		 5ghyB-4pprA:
23.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GHZ_A_CEDA301_1
(BETA-LACTAMASE)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		8 / 11 SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
ALA A 237
 MER  A 301 (-1.3A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.5A)
MER  A 301 (-3.0A)
MER  A 301 (-4.2A)
 0.48A 5ghzA-3bfgA:
41.9		 5ghzA-3bfgA:
42.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GHZ_A_CEDA301_1
(BETA-LACTAMASE)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		7 / 11 SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 MER  A 401 (-1.3A)
MER  A 401 (-2.8A)
MER  A 401 (-3.2A)
MER  A 401 (-2.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.5A)
MER  A 401 (-3.6A)
 0.47A 5ghzA-4ev4A:
40.9		 5ghzA-4ev4A:
43.37
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.
5GHZ_A_CEDA301_1
(BETA-LACTAMASE)		 4ppr PENICILLIN-BINDING
PROTEIN DACB1
(Mycobacterium
tuberculosis) 		7 / 11 ALA A 120
SER A 121
SER A 176
ASN A 178
LYS A 282
THR A 283
GLY A 284
 MER  A 400 (-3.5A)
MER  A 400 (-1.3A)
MER  A 400 (-2.5A)
MER  A 400 (-3.0A)
MER  A 400 (-3.0A)
MER  A 400 (-3.6A)
MER  A 400 (-3.1A)
 0.31A 5ghzA-4pprA:
20.3		 5ghzA-4pprA:
23.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GHZ_B_CEDB301_1
(BETA-LACTAMASE)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		7 / 10 SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 MER  A 301 (-1.3A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.5A)
MER  A 301 (-3.0A)
 0.46A 5ghzB-3bfgA:
42.0		 5ghzB-3bfgA:
42.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GHZ_B_CEDB301_1
(BETA-LACTAMASE)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		7 / 10 SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 MER  A 401 (-1.3A)
MER  A 401 (-2.8A)
MER  A 401 (-3.2A)
MER  A 401 (-2.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.5A)
MER  A 401 (-3.6A)
 0.47A 5ghzB-4ev4A:
41.0		 5ghzB-4ev4A:
43.37
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.
5GHZ_B_CEDB301_1
(BETA-LACTAMASE)		 4ppr PENICILLIN-BINDING
PROTEIN DACB1
(Mycobacterium
tuberculosis) 		7 / 10 ALA A 120
SER A 121
SER A 176
ASN A 178
LYS A 282
THR A 283
GLY A 284
 MER  A 400 (-3.5A)
MER  A 400 (-1.3A)
MER  A 400 (-2.5A)
MER  A 400 (-3.0A)
MER  A 400 (-3.0A)
MER  A 400 (-3.6A)
MER  A 400 (-3.1A)
 0.31A 5ghzB-4pprA:
20.3		 5ghzB-4pprA:
23.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KMW_A_PNNA305_0
(BETA-LACTAMASE
TOHO-1)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		4 / 4 ASN A 104
PRO A 167
ASN A 170
ASP A 240
 MER  A 301 ( 4.1A)
None
MER  A 301 (-2.6A)
None
 0.42A 5kmwA-3bfgA:
46.8		 5kmwA-3bfgA:
77.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YVN_A_ACTA305_0
(GLUTATHIONE
S-TRANSFERASE
OMEGA-1)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		4 / 6 LEU A 169
LYS A  73
LEU A  76
LEU A 139
 None
MER  A 401 ( 4.4A)
None
None
 1.08A 5yvnA-4ev4A:
undetectable		 5yvnA-4ev4A:
20.62
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.
6B5Y_A_9F2A302_1
(BETA-LACTAMASE)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		5 / 9 PRO A 107
TYR A 129
THR A 215
THR A 216
ASP A 240
 None
None
None
MER  A 301 (-3.6A)
None
 0.69A 6b5yA-3bfgA:
40.7
6b5yB-3bfgA:
40.9		 6b5yA-3bfgA:
18.10
6b5yB-3bfgA:
18.10
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.
6B5Y_B_9F2B400_1
(BETA-LACTAMASE)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		8 / 12 SER A  70
SER A 130
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
ASP A 240
 MER  A 301 (-1.3A)
MER  A 301 (-2.6A)
MER  A 301 (-2.6A)
MER  A 301 (-3.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.5A)
MER  A 301 (-3.0A)
None
 0.66A 6b5yB-3bfgA:
40.9		 6b5yB-3bfgA:
18.10
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.
6B5Y_B_9F2B400_1
(BETA-LACTAMASE)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		9 / 12 SER A  70
SER A 130
ASN A 170
THR A 216
ARG A 220
LYS A 234
THR A 235
GLY A 236
THR A 237
 MER  A 401 (-1.3A)
MER  A 401 (-2.8A)
MER  A 401 (-2.9A)
MER  A 401 ( 3.9A)
MER  A 401 ( 3.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.5A)
MER  A 401 (-3.6A)
MER  A 401 (-3.7A)
 0.41A 6b5yB-4ev4A:
39.5		 6b5yB-4ev4A:
18.10
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.
6B5Y_B_9F2B400_1
(BETA-LACTAMASE)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		6 / 12 SER A 130
THR A 216
ARG A 220
THR A 235
THR A 237
GLY A 239
 MER  A 401 (-2.8A)
MER  A 401 ( 3.9A)
MER  A 401 ( 3.9A)
MER  A 401 (-3.5A)
MER  A 401 (-3.7A)
None
 0.81A 6b5yB-4ev4A:
39.5		 6b5yB-4ev4A:
18.10
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.
6B5Y_C_9F2C302_1
(BETA-LACTAMASE)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		5 / 10 PRO A 107
TYR A 129
THR A 215
THR A 216
ASP A 240
 None
None
None
MER  A 301 (-3.6A)
None
 0.80A 6b5yC-3bfgA:
41.0
6b5yD-3bfgA:
41.0		 6b5yC-3bfgA:
18.10
6b5yD-3bfgA:
18.10
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.
6B5Y_D_9F2D400_1
(BETA-LACTAMASE)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		8 / 12 SER A  70
SER A 130
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
ASP A 240
 MER  A 301 (-1.3A)
MER  A 301 (-2.6A)
MER  A 301 (-2.6A)
MER  A 301 (-3.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.5A)
MER  A 301 (-3.0A)
None
 0.71A 6b5yD-3bfgA:
41.0		 6b5yD-3bfgA:
18.10
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.
6B5Y_D_9F2D400_1
(BETA-LACTAMASE)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		8 / 12 SER A  70
SER A 130
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
THR A 237
 MER  A 401 (-1.3A)
MER  A 401 (-2.8A)
MER  A 401 (-2.9A)
MER  A 401 ( 3.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.5A)
MER  A 401 (-3.6A)
MER  A 401 (-3.7A)
 0.48A 6b5yD-4ev4A:
39.6		 6b5yD-4ev4A:
18.10
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.
6B5Y_D_9F2D400_1
(BETA-LACTAMASE)		 4ppr PENICILLIN-BINDING
PROTEIN DACB1
(Mycobacterium
tuberculosis) 		5 / 12 SER A 121
SER A 176
LYS A 282
THR A 283
GLY A 284
 MER  A 400 (-1.3A)
MER  A 400 (-2.5A)
MER  A 400 (-3.0A)
MER  A 400 (-3.6A)
MER  A 400 (-3.1A)
 0.48A 6b5yD-4pprA:
20.0		 6b5yD-4pprA:
13.46
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.
6B68_A_9F2A302_1
(BETA-LACTAMASE)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		5 / 9 PRO A 107
TYR A 129
THR A 215
THR A 216
ASP A 240
 None
None
None
MER  A 301 (-3.6A)
None
 0.68A 6b68A-3bfgA:
41.1
6b68B-3bfgA:
41.2		 6b68A-3bfgA:
18.10
6b68B-3bfgA:
18.10
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.
6B68_B_9F2B301_1
(BETA-LACTAMASE)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		8 / 12 SER A  70
SER A 130
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
ASP A 240
 MER  A 301 (-1.3A)
MER  A 301 (-2.6A)
MER  A 301 (-2.6A)
MER  A 301 (-3.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.5A)
MER  A 301 (-3.0A)
None
 0.58A 6b68B-3bfgA:
41.2		 6b68B-3bfgA:
18.10
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.
6B68_B_9F2B301_1
(BETA-LACTAMASE)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		8 / 12 SER A  70
SER A 130
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
THR A 237
 MER  A 401 (-1.3A)
MER  A 401 (-2.8A)
MER  A 401 (-2.9A)
MER  A 401 ( 3.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.5A)
MER  A 401 (-3.6A)
MER  A 401 (-3.7A)
 0.34A 6b68B-4ev4A:
39.6		 6b68B-4ev4A:
18.10
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.
6B68_B_9F2B301_1
(BETA-LACTAMASE)		 4ppr PENICILLIN-BINDING
PROTEIN DACB1
(Mycobacterium
tuberculosis) 		5 / 12 SER A 121
SER A 176
LYS A 282
THR A 283
GLY A 284
 MER  A 400 (-1.3A)
MER  A 400 (-2.5A)
MER  A 400 (-3.0A)
MER  A 400 (-3.6A)
MER  A 400 (-3.1A)
 0.27A 6b68B-4pprA:
20.1		 6b68B-4pprA:
13.46
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.
6B68_C_9F2C302_1
(BETA-LACTAMASE)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		5 / 10 PRO A 107
TYR A 129
THR A 215
THR A 216
ASP A 240
 None
None
None
MER  A 301 (-3.6A)
None
 0.76A 6b68C-3bfgA:
40.9
6b68D-3bfgA:
41.0		 6b68C-3bfgA:
18.10
6b68D-3bfgA:
18.10
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.
6B68_D_9F2D400_1
(BETA-LACTAMASE)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		7 / 12 SER A  70
SER A 130
ASN A 170
THR A 216
LYS A 234
GLY A 236
ASP A 240
 MER  A 301 (-1.3A)
MER  A 301 (-2.6A)
MER  A 301 (-2.6A)
MER  A 301 (-3.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.0A)
None
 0.64A 6b68D-3bfgA:
41.0		 6b68D-3bfgA:
18.10
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.
6B68_D_9F2D400_1
(BETA-LACTAMASE)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		8 / 12 SER A  70
SER A 130
ASN A 170
THR A 216
ARG A 220
LYS A 234
GLY A 236
THR A 237
 MER  A 401 (-1.3A)
MER  A 401 (-2.8A)
MER  A 401 (-2.9A)
MER  A 401 ( 3.9A)
MER  A 401 ( 3.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.6A)
MER  A 401 (-3.7A)
 0.42A 6b68D-4ev4A:
39.5		 6b68D-4ev4A:
18.10
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.
6B69_A_9F2A302_1
(BETA-LACTAMASE)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		5 / 9 PRO A 107
TYR A 129
THR A 215
THR A 216
ASP A 240
 None
None
None
MER  A 301 (-3.6A)
None
 0.72A 6b69A-3bfgA:
40.9
6b69B-3bfgA:
41.0		 6b69A-3bfgA:
18.10
6b69B-3bfgA:
18.10
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.
6B69_B_9F2B301_1
(BETA-LACTAMASE)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		9 / 12 SER A  70
SER A 130
PRO A 167
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
ASP A 240
 MER  A 301 (-1.3A)
MER  A 301 (-2.6A)
None
MER  A 301 (-2.6A)
MER  A 301 (-3.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.5A)
MER  A 301 (-3.0A)
None
 0.55A 6b69A-3bfgA:
40.9
6b69B-3bfgA:
41.0		 6b69A-3bfgA:
18.10
6b69B-3bfgA:
18.10
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.
6B69_B_9F2B301_1
(BETA-LACTAMASE)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		8 / 12 SER A  70
SER A 130
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
THR A 237
 MER  A 401 (-1.3A)
MER  A 401 (-2.8A)
MER  A 401 (-2.9A)
MER  A 401 ( 3.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.5A)
MER  A 401 (-3.6A)
MER  A 401 (-3.7A)
 0.32A 6b69A-4ev4A:
39.4
6b69B-4ev4A:
39.6		 6b69A-4ev4A:
18.10
6b69B-4ev4A:
18.10
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.
6B69_B_9F2B301_1
(BETA-LACTAMASE)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		7 / 12 SER A  70
SER A 130
PRO A 104
THR A 216
LYS A 234
THR A 235
THR A 237
 MER  A 401 (-1.3A)
MER  A 401 (-2.8A)
None
MER  A 401 ( 3.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.5A)
MER  A 401 (-3.7A)
 1.34A 6b69A-4ev4A:
39.4
6b69B-4ev4A:
39.6		 6b69A-4ev4A:
18.10
6b69B-4ev4A:
18.10
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.
6B69_B_9F2B301_1
(BETA-LACTAMASE)		 4ppr PENICILLIN-BINDING
PROTEIN DACB1
(Mycobacterium
tuberculosis) 		5 / 12 SER A 121
SER A 176
LYS A 282
THR A 283
GLY A 284
 MER  A 400 (-1.3A)
MER  A 400 (-2.5A)
MER  A 400 (-3.0A)
MER  A 400 (-3.6A)
MER  A 400 (-3.1A)
 0.26A 6b69A-4pprA:
20.1
6b69B-4pprA:
20.0		 6b69A-4pprA:
13.46
6b69B-4pprA:
13.46
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.
6B69_C_9F2C302_1
(BETA-LACTAMASE)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		5 / 9 PRO A 107
TYR A 129
THR A 215
THR A 216
ASP A 240
 None
None
None
MER  A 301 (-3.6A)
None
 0.70A 6b69C-3bfgA:
40.9
6b69D-3bfgA:
41.0		 6b69C-3bfgA:
18.10
6b69D-3bfgA:
18.10
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.
6B69_D_9F2D301_1
(BETA-LACTAMASE)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		7 / 12 SER A  70
SER A 130
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
 MER  A 301 (-1.3A)
MER  A 301 (-2.6A)
MER  A 301 (-2.6A)
MER  A 301 (-3.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.5A)
MER  A 301 (-3.0A)
 0.42A 6b69D-3bfgA:
41.0		 6b69D-3bfgA:
18.10
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.
6B69_D_9F2D301_1
(BETA-LACTAMASE)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		9 / 12 SER A  70
SER A 130
ASN A 170
THR A 216
ARG A 220
LYS A 234
THR A 235
GLY A 236
THR A 237
 MER  A 401 (-1.3A)
MER  A 401 (-2.8A)
MER  A 401 (-2.9A)
MER  A 401 ( 3.9A)
MER  A 401 ( 3.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.5A)
MER  A 401 (-3.6A)
MER  A 401 (-3.7A)
 0.33A 6b69D-4ev4A:
39.5		 6b69D-4ev4A:
18.10
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.
6B6A_A_9F2A302_1
(BETA-LACTAMASE)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		5 / 9 PRO A 107
TYR A 129
THR A 215
THR A 216
ASP A 240
 None
None
None
MER  A 301 (-3.6A)
None
 0.76A 6b6aA-3bfgA:
40.8
6b6aB-3bfgA:
41.1		 6b6aA-3bfgA:
18.10
6b6aB-3bfgA:
18.10
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.
6B6A_B_9F2B301_1
(BETA-LACTAMASE)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		8 / 12 SER A  70
SER A 130
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
ASP A 240
 MER  A 301 (-1.3A)
MER  A 301 (-2.6A)
MER  A 301 (-2.6A)
MER  A 301 (-3.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.5A)
MER  A 301 (-3.0A)
None
 0.60A 6b6aB-3bfgA:
41.1		 6b6aB-3bfgA:
18.10
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.
6B6A_B_9F2B301_1
(BETA-LACTAMASE)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		9 / 12 SER A  70
SER A 130
ASN A 170
THR A 216
ARG A 220
LYS A 234
THR A 235
GLY A 236
THR A 237
 MER  A 401 (-1.3A)
MER  A 401 (-2.8A)
MER  A 401 (-2.9A)
MER  A 401 ( 3.9A)
MER  A 401 ( 3.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.5A)
MER  A 401 (-3.6A)
MER  A 401 (-3.7A)
 0.37A 6b6aB-4ev4A:
39.4		 6b6aB-4ev4A:
18.10
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.
6B6A_C_9F2C302_1
(BETA-LACTAMASE)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		5 / 9 PRO A 107
TYR A 129
THR A 215
THR A 216
ASP A 240
 None
None
None
MER  A 301 (-3.6A)
None
 0.71A 6b6aC-3bfgA:
40.8
6b6aD-3bfgA:
41.1		 6b6aC-3bfgA:
18.10
6b6aD-3bfgA:
18.10
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.
6B6A_D_9F2D301_1
(BETA-LACTAMASE)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		7 / 12 SER A  70
SER A 130
ASN A 170
LYS A 234
THR A 235
GLY A 236
ASP A 240
 MER  A 301 (-1.3A)
MER  A 301 (-2.6A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.5A)
MER  A 301 (-3.0A)
None
 0.53A 6b6aD-3bfgA:
41.1		 6b6aD-3bfgA:
18.10
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.
6B6A_D_9F2D301_1
(BETA-LACTAMASE)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		8 / 12 SER A  70
SER A 130
ASN A 170
ARG A 220
LYS A 234
THR A 235
GLY A 236
THR A 237
 MER  A 401 (-1.3A)
MER  A 401 (-2.8A)
MER  A 401 (-2.9A)
MER  A 401 ( 3.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.5A)
MER  A 401 (-3.6A)
MER  A 401 (-3.7A)
 0.39A 6b6aD-4ev4A:
39.3		 6b6aD-4ev4A:
18.10
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.
6B6A_D_9F2D301_1
(BETA-LACTAMASE)		 4ppr PENICILLIN-BINDING
PROTEIN DACB1
(Mycobacterium
tuberculosis) 		5 / 12 SER A 121
SER A 176
LYS A 282
THR A 283
GLY A 284
 MER  A 400 (-1.3A)
MER  A 400 (-2.5A)
MER  A 400 (-3.0A)
MER  A 400 (-3.6A)
MER  A 400 (-3.1A)
 0.27A 6b6aD-4pprA:
19.8		 6b6aD-4pprA:
13.46
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.
6B6C_A_9F2A301_1
(BETA-LACTAMASE)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		7 / 12 SER A  70
SER A 130
PRO A 167
ASN A 170
LYS A 234
THR A 235
GLY A 236
 MER  A 301 (-1.3A)
MER  A 301 (-2.6A)
None
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.5A)
MER  A 301 (-3.0A)
 0.53A 6b6cA-3bfgA:
41.1		 6b6cA-3bfgA:
18.10
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.
6B6C_A_9F2A301_1
(BETA-LACTAMASE)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		8 / 12 SER A  70
SER A 130
ASN A 170
ARG A 220
LYS A 234
THR A 235
GLY A 236
THR A 237
 MER  A 401 (-1.3A)
MER  A 401 (-2.8A)
MER  A 401 (-2.9A)
MER  A 401 ( 3.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.5A)
MER  A 401 (-3.6A)
MER  A 401 (-3.7A)
 0.48A 6b6cA-4ev4A:
39.2		 6b6cA-4ev4A:
18.10
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.
6B6C_A_9F2A301_1
(BETA-LACTAMASE)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		7 / 12 SER A  70
SER A 130
PRO A 104
ARG A 220
LYS A 234
THR A 235
THR A 237
 MER  A 401 (-1.3A)
MER  A 401 (-2.8A)
None
MER  A 401 ( 3.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.5A)
MER  A 401 (-3.7A)
 1.29A 6b6cA-4ev4A:
39.2		 6b6cA-4ev4A:
18.10
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.
6B6C_A_9F2A301_1
(BETA-LACTAMASE)		 4ppr PENICILLIN-BINDING
PROTEIN DACB1
(Mycobacterium
tuberculosis) 		5 / 12 SER A 121
SER A 176
LYS A 282
THR A 283
GLY A 284
 MER  A 400 (-1.3A)
MER  A 400 (-2.5A)
MER  A 400 (-3.0A)
MER  A 400 (-3.6A)
MER  A 400 (-3.1A)
 0.37A 6b6cA-4pprA:
20.1		 6b6cA-4pprA:
13.46
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.
6B6D_A_9F2A302_1
(BETA-LACTAMASE)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		6 / 12 SER A  70
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
 MER  A 301 (-1.3A)
MER  A 301 (-2.6A)
MER  A 301 (-3.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.5A)
MER  A 301 (-3.0A)
 0.46A 6b6dA-3bfgA:
40.7		 6b6dA-3bfgA:
18.10
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.
6B6D_A_9F2A302_1
(BETA-LACTAMASE)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		6 / 12 SER A  70
SER A 130
ASN A 170
LYS A 234
THR A 235
GLY A 236
 MER  A 301 (-1.3A)
MER  A 301 (-2.6A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.5A)
MER  A 301 (-3.0A)
 0.68A 6b6dA-3bfgA:
40.7		 6b6dA-3bfgA:
18.10
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.
6B6D_A_9F2A302_1
(BETA-LACTAMASE)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		8 / 12 SER A  70
SER A 130
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
THR A 237
 MER  A 401 (-1.3A)
MER  A 401 (-2.8A)
MER  A 401 (-2.9A)
MER  A 401 ( 3.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.5A)
MER  A 401 (-3.6A)
MER  A 401 (-3.7A)
 0.58A 6b6dA-4ev4A:
39.4		 6b6dA-4ev4A:
18.10
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.
6B6E_A_9F2A302_1
(BETA-LACTAMASE)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		7 / 12 SER A  70
SER A 130
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
 MER  A 301 (-1.3A)
MER  A 301 (-2.6A)
MER  A 301 (-2.6A)
MER  A 301 (-3.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.5A)
MER  A 301 (-3.0A)
 0.40A 6b6eA-3bfgA:
40.9		 6b6eA-3bfgA:
18.10
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.
6B6E_A_9F2A302_1
(BETA-LACTAMASE)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		9 / 12 SER A  70
SER A 130
ASN A 170
THR A 216
ARG A 220
LYS A 234
THR A 235
GLY A 236
THR A 237
 MER  A 401 (-1.3A)
MER  A 401 (-2.8A)
MER  A 401 (-2.9A)
MER  A 401 ( 3.9A)
MER  A 401 ( 3.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.5A)
MER  A 401 (-3.6A)
MER  A 401 (-3.7A)
 0.39A 6b6eA-4ev4A:
39.4		 6b6eA-4ev4A:
18.10
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.
6B6F_A_9F2A301_1
(BETA-LACTAMASE)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		9 / 12 CSS A  69
SER A  70
SER A 130
PRO A 167
ASN A 170
LYS A 234
THR A 235
GLY A 236
ASP A 240
 MER  A 301 (-4.6A)
MER  A 301 (-1.3A)
MER  A 301 (-2.6A)
None
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.5A)
MER  A 301 (-3.0A)
None
 0.56A 6b6fA-3bfgA:
40.7		 6b6fA-3bfgA:
18.10
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.
6B6F_A_9F2A301_1
(BETA-LACTAMASE)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		8 / 12 CSS A  69
SER A  70
SER A 130
ASN A 170
LYS A 234
THR A 235
GLY A 236
THR A 237
 None
MER  A 401 (-1.3A)
MER  A 401 (-2.8A)
MER  A 401 (-2.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.5A)
MER  A 401 (-3.6A)
MER  A 401 (-3.7A)
 0.48A 6b6fA-4ev4A:
39.0		 6b6fA-4ev4A:
18.10
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.
6B6F_A_9F2A301_1
(BETA-LACTAMASE)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		6 / 12 SER A  70
SER A 130
PRO A 104
LYS A 234
THR A 235
THR A 237
 MER  A 401 (-1.3A)
MER  A 401 (-2.8A)
None
MER  A 401 (-3.0A)
MER  A 401 (-3.5A)
MER  A 401 (-3.7A)
 1.43A 6b6fA-4ev4A:
39.0		 6b6fA-4ev4A:
18.10
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.
6B6F_A_9F2A301_1
(BETA-LACTAMASE)		 4ppr PENICILLIN-BINDING
PROTEIN DACB1
(Mycobacterium
tuberculosis) 		5 / 12 SER A 121
SER A 176
LYS A 282
THR A 283
GLY A 284
 MER  A 400 (-1.3A)
MER  A 400 (-2.5A)
MER  A 400 (-3.0A)
MER  A 400 (-3.6A)
MER  A 400 (-3.1A)
 0.48A 6b6fA-4pprA:
20.0		 6b6fA-4pprA:
13.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6C79_A_CE3A301_1
(BETA-LACTAMASE
TOHO-1)		 3bfg CLASS A
BETA-LACTAMASE SED1
(Citrobacter
sedlakii) 		7 / 12 ASN A 104
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 236
 MER  A 301 ( 4.1A)
MER  A 301 (-2.6A)
MER  A 301 (-3.2A)
MER  A 301 (-2.6A)
MER  A 301 (-3.6A)
MER  A 301 (-3.2A)
MER  A 301 (-3.0A)
 0.38A 6c79A-3bfgA:
47.4		 6c79A-3bfgA:
72.84
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.
6C79_A_CE3A301_1
(BETA-LACTAMASE
TOHO-1)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		6 / 12 SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 236
 MER  A 401 (-2.8A)
MER  A 401 (-3.2A)
MER  A 401 (-2.9A)
MER  A 401 ( 3.9A)
MER  A 401 (-3.0A)
MER  A 401 (-3.6A)
 0.45A 6c79A-4ev4A:
42.3		 6c79A-4ev4A:
15.19