SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'CFX'


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)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		8 / 12 ALA A  69
SER A  70
LYS A  73
SER A 130
ASN A 132
LYS A 234
GLY A 236
ARG A 244
 CFX  A1300 (-3.5A)
CFX  A1300 (-1.3A)
CFX  A1300 (-2.6A)
CFX  A1300 (-3.1A)
CFX  A1300 (-3.0A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.3A)
CFX  A1300 (-3.5A)
 0.27A 1ghmA-1i2wA:
41.1		 1ghmA-1i2wA:
40.36
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)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		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
GLY A 238
 CFX  A1300 (-1.3A)
CFX  A1300 (-2.6A)
CFX  A1300 (-3.9A)
CFX  A1300 (-3.1A)
CFX  A1300 (-3.0A)
CFX  A1300 (-2.7A)
CFX  A1300 (-3.2A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.3A)
CFX  A1300 ( 4.1A)
 0.51A 1ymxA-1i2wA:
41.4		 1ymxA-1i2wA:
42.70
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)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		9 / 12 SER A  70
LYS A  73
ASN A 104
SER A 130
ASN A 132
GLU A 166
LYS A 234
GLY A 236
GLY A 238
 CFX  A1300 (-1.3A)
CFX  A1300 (-2.6A)
CFX  A1300 (-3.9A)
CFX  A1300 (-3.1A)
CFX  A1300 (-3.0A)
CFX  A1300 (-2.7A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.3A)
CFX  A1300 ( 4.1A)
 0.53A 1ymxB-1i2wA:
41.5		 1ymxB-1i2wA:
42.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YMX_B_CFXB1002_2
(BETA-LACTAMASE
CTX-M-9)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		4 / 5 TYR A 105
PRO A 167
THR A 216
THR A 235
 CFX  A1300 ( 4.9A)
CFX  A1300 (-4.4A)
CFX  A1300 (-3.2A)
CFX  A1300 (-3.6A)
 0.35A 1ymxB-1i2wA:
41.5		 1ymxB-1i2wA:
42.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VDM_B_AGGB1462_1
(INTEGRIN ALPHA-IIB
INTEGRIN BETA-3)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		5 / 12 LEU A  75
ASP A 157
TYR A 241
ASN A 170
ALA A  69
 None
None
None
CFX  A1300 (-3.5A)
CFX  A1300 (-3.5A)
 1.26A 2vdmA-1i2wA:
undetectable
2vdmB-1i2wA:
undetectable		 2vdmA-1i2wA:
21.48
2vdmB-1i2wA:
21.55
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)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		7 / 12 GLY A 236
ASN A 104
TYR A 105
SER A 130
THR A 216
LYS A 234
GLY A 238
 CFX  A1300 (-3.3A)
CFX  A1300 (-3.9A)
CFX  A1300 ( 4.9A)
CFX  A1300 (-3.1A)
CFX  A1300 (-3.2A)
CFX  A1300 ( 3.9A)
CFX  A1300 ( 4.1A)
 1.48A 3hlwA-1i2wA:
41.4		 3hlwA-1i2wA:
42.35
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)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		9 / 12 LYS A  73
ASN A 104
TYR A 105
SER A 130
ASN A 132
THR A 216
LYS A 234
GLY A 236
GLY A 238
 CFX  A1300 (-2.6A)
CFX  A1300 (-3.9A)
CFX  A1300 ( 4.9A)
CFX  A1300 (-3.1A)
CFX  A1300 (-3.0A)
CFX  A1300 (-3.2A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.3A)
CFX  A1300 ( 4.1A)
 0.42A 3hlwA-1i2wA:
41.4		 3hlwA-1i2wA:
42.35
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)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		9 / 12 ASN A 104
TYR A 105
SER A 130
ASN A 132
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
 CFX  A1300 (-3.9A)
CFX  A1300 ( 4.9A)
CFX  A1300 (-3.1A)
CFX  A1300 (-3.0A)
CFX  A1300 (-3.2A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.6A)
CFX  A1300 (-3.3A)
CFX  A1300 ( 4.1A)
 0.45A 3hlwB-1i2wA:
41.4		 3hlwB-1i2wA:
42.35
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)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		7 / 12 LYS A  73
ASN A 104
ASN A 132
LYS A 234
THR A 235
GLY A 236
GLY A 238
 CFX  A1300 (-2.6A)
CFX  A1300 (-3.9A)
CFX  A1300 (-3.0A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.6A)
CFX  A1300 (-3.3A)
CFX  A1300 ( 4.1A)
 0.41A 3huoA-1i2wA:
41.3		 3huoA-1i2wA:
42.35
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)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		6 / 12 LYS A  73
ASN A 104
ASN A 132
LYS A 234
GLY A 236
GLY A 238
 CFX  A1300 (-2.6A)
CFX  A1300 (-3.9A)
CFX  A1300 (-3.0A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.3A)
CFX  A1300 ( 4.1A)
 0.39A 3huoB-1i2wA:
41.4		 3huoB-1i2wA:
42.35
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.
3MZE_A_CFXA364_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		7 / 12 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
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)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		7 / 12 SER A  70
SER A 130
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
 CFX  A1300 (-1.3A)
CFX  A1300 (-3.1A)
CFX  A1300 (-3.2A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.6A)
CFX  A1300 (-3.3A)
CFX  A1300 ( 4.1A)
 0.52A 3ny4A-1i2wA:
41.0		 3ny4A-1i2wA:
44.01
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)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		7 / 12 LYS A  73
ASN A 104
SER A 130
ASN A 132
LYS A 234
GLY A 236
GLY A 238
 CFX  A1300 (-2.6A)
CFX  A1300 (-3.9A)
CFX  A1300 (-3.1A)
CFX  A1300 (-3.0A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.3A)
CFX  A1300 ( 4.1A)
 0.39A 3q07A-1i2wA:
41.3		 3q07A-1i2wA:
42.35
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)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		7 / 12 LYS A  73
ASN A 104
SER A 130
ASN A 132
LYS A 234
GLY A 236
GLY A 238
 CFX  A1300 (-2.6A)
CFX  A1300 (-3.9A)
CFX  A1300 (-3.1A)
CFX  A1300 (-3.0A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.3A)
CFX  A1300 ( 4.1A)
 0.48A 3q07B-1i2wA:
39.6		 3q07B-1i2wA:
42.35
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)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		11 / 12 ALA A  69
SER A  70
ASN A 104
TYR A 105
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
ALA A 237
ARG A 244
 CFX  A1300 (-3.5A)
CFX  A1300 (-1.3A)
CFX  A1300 (-3.9A)
CFX  A1300 ( 4.9A)
CFX  A1300 (-3.1A)
CFX  A1300 (-3.0A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.6A)
CFX  A1300 (-3.3A)
CFX  A1300 (-3.4A)
CFX  A1300 (-3.5A)
 0.45A 3sh8A-1i2wA:
44.9		 3sh8A-1i2wA:
91.13
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)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		11 / 12 ALA A  69
SER A  70
LYS A  73
ASN A 104
SER A 130
ASN A 132
LYS A 234
GLY A 236
ALA A 237
ARG A 244
TYR A 274
 CFX  A1300 (-3.5A)
CFX  A1300 (-1.3A)
CFX  A1300 (-2.6A)
CFX  A1300 (-3.9A)
CFX  A1300 (-3.1A)
CFX  A1300 (-3.0A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.3A)
CFX  A1300 (-3.4A)
CFX  A1300 (-3.5A)
None
 0.42A 3sh8B-1i2wA:
44.9		 3sh8B-1i2wA:
91.13
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)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		7 / 12 LYS A  73
SER A 130
ASN A 132
THR A 216
LYS A 234
THR A 235
GLY A 236
 CFX  A1300 (-2.6A)
CFX  A1300 (-3.1A)
CFX  A1300 (-3.0A)
CFX  A1300 (-3.2A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.6A)
CFX  A1300 (-3.3A)
 0.34A 4euzA-1i2wA:
40.7		 4euzA-1i2wA:
45.77
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)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		8 / 10 TYR A 105
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
ALA A 237
ARG A 244
 CFX  A1300 ( 4.9A)
CFX  A1300 (-3.1A)
CFX  A1300 (-3.0A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.6A)
CFX  A1300 (-3.3A)
CFX  A1300 (-3.4A)
CFX  A1300 (-3.5A)
 0.47A 4fh2A-1i2wA:
35.2		 4fh2A-1i2wA:
36.39
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)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		11 / 12 ALA A  69
SER A  70
ASN A 104
TYR A 105
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
ALA A 237
ARG A 244
 CFX  A1300 (-3.5A)
CFX  A1300 (-1.3A)
CFX  A1300 (-3.9A)
CFX  A1300 ( 4.9A)
CFX  A1300 (-3.1A)
CFX  A1300 (-3.0A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.6A)
CFX  A1300 (-3.3A)
CFX  A1300 (-3.4A)
CFX  A1300 (-3.5A)
 0.39A 4n9kA-1i2wA:
46.5		 4n9kA-1i2wA:
91.84
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)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		11 / 12 ALA A  69
SER A  70
ASN A 104
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
ALA A 237
ARG A 244
TYR A 274
 CFX  A1300 (-3.5A)
CFX  A1300 (-1.3A)
CFX  A1300 (-3.9A)
CFX  A1300 (-3.1A)
CFX  A1300 (-3.0A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.6A)
CFX  A1300 (-3.3A)
CFX  A1300 (-3.4A)
CFX  A1300 (-3.5A)
None
 0.40A 4n9kB-1i2wA:
46.8		 4n9kB-1i2wA:
91.84
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)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		8 / 12 ASN A 104
TYR A 105
ASN A 132
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
 CFX  A1300 (-3.9A)
CFX  A1300 ( 4.9A)
CFX  A1300 (-3.0A)
CFX  A1300 (-3.2A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.6A)
CFX  A1300 (-3.3A)
CFX  A1300 ( 4.1A)
 0.40A 4pm5A-1i2wA:
41.2		 4pm5A-1i2wA:
42.70
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)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		8 / 12 ASN A 104
TYR A 105
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
GLY A 238
 CFX  A1300 (-3.9A)
CFX  A1300 ( 4.9A)
CFX  A1300 (-3.1A)
CFX  A1300 (-3.0A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.6A)
CFX  A1300 (-3.3A)
CFX  A1300 ( 4.1A)
 0.61A 4pm5A-1i2wA:
41.2		 4pm5A-1i2wA:
42.70
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)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		9 / 12 LYS A  73
ASN A 104
TYR A 105
ASN A 132
THR A 216
LYS A 234
GLY A 236
ALA A 237
GLY A 238
 CFX  A1300 (-2.6A)
CFX  A1300 (-3.9A)
CFX  A1300 ( 4.9A)
CFX  A1300 (-3.0A)
CFX  A1300 (-3.2A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.3A)
CFX  A1300 (-3.4A)
CFX  A1300 ( 4.1A)
 0.44A 4pm7A-1i2wA:
41.2		 4pm7A-1i2wA:
43.06
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)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		9 / 12 LYS A  73
ASN A 104
TYR A 105
SER A 130
ASN A 132
LYS A 234
GLY A 236
ALA A 237
GLY A 238
 CFX  A1300 (-2.6A)
CFX  A1300 (-3.9A)
CFX  A1300 ( 4.9A)
CFX  A1300 (-3.1A)
CFX  A1300 (-3.0A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.3A)
CFX  A1300 (-3.4A)
CFX  A1300 ( 4.1A)
 0.63A 4pm7A-1i2wA:
41.2		 4pm7A-1i2wA:
43.06
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)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		9 / 12 ASN A 104
TYR A 105
ASN A 132
THR A 216
LYS A 234
THR A 235
GLY A 236
ALA A 237
GLY A 238
 CFX  A1300 (-3.9A)
CFX  A1300 ( 4.9A)
CFX  A1300 (-3.0A)
CFX  A1300 (-3.2A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.6A)
CFX  A1300 (-3.3A)
CFX  A1300 (-3.4A)
CFX  A1300 ( 4.1A)
 0.48A 4pm9A-1i2wA:
41.0		 4pm9A-1i2wA:
42.86
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)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		9 / 12 ASN A 104
TYR A 105
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
ALA A 237
GLY A 238
 CFX  A1300 (-3.9A)
CFX  A1300 ( 4.9A)
CFX  A1300 (-3.1A)
CFX  A1300 (-3.0A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.6A)
CFX  A1300 (-3.3A)
CFX  A1300 (-3.4A)
CFX  A1300 ( 4.1A)
 0.65A 4pm9A-1i2wA:
41.0		 4pm9A-1i2wA:
42.86
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)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		6 / 12 ALA A  69
ASN A 170
GLY A 236
ALA A 237
ARG A 244
TYR A 274
 CFX  A1300 (-3.5A)
CFX  A1300 (-3.5A)
CFX  A1300 (-3.3A)
CFX  A1300 (-3.4A)
CFX  A1300 (-3.5A)
None
 0.99A 5ghyA-1i2wA:
46.3		 5ghyA-1i2wA:
91.84
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)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		9 / 12 ALA A  69
SER A  70
SER A 130
ASN A 132
LYS A 234
GLY A 236
ALA A 237
ARG A 244
TYR A 274
 CFX  A1300 (-3.5A)
CFX  A1300 (-1.3A)
CFX  A1300 (-3.1A)
CFX  A1300 (-3.0A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.3A)
CFX  A1300 (-3.4A)
CFX  A1300 (-3.5A)
None
 0.39A 5ghyA-1i2wA:
46.3		 5ghyA-1i2wA:
91.84
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)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		6 / 12 ALA A  69
SER A  70
TYR A 105
ASN A 132
GLY A 236
ARG A 244
 CFX  A1300 (-3.5A)
CFX  A1300 (-1.3A)
CFX  A1300 ( 4.9A)
CFX  A1300 (-3.0A)
CFX  A1300 (-3.3A)
CFX  A1300 (-3.5A)
 1.17A 5ghyA-1i2wA:
46.3		 5ghyA-1i2wA:
91.84
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)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		6 / 12 ALA A  69
ASN A 170
GLY A 236
ALA A 237
ARG A 244
TYR A 274
 CFX  A1300 (-3.5A)
CFX  A1300 (-3.5A)
CFX  A1300 (-3.3A)
CFX  A1300 (-3.4A)
CFX  A1300 (-3.5A)
None
 0.97A 5ghyB-1i2wA:
46.5		 5ghyB-1i2wA:
91.84
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)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		9 / 12 ALA A  69
SER A  70
SER A 130
ASN A 132
LYS A 234
GLY A 236
ALA A 237
ARG A 244
TYR A 274
 CFX  A1300 (-3.5A)
CFX  A1300 (-1.3A)
CFX  A1300 (-3.1A)
CFX  A1300 (-3.0A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.3A)
CFX  A1300 (-3.4A)
CFX  A1300 (-3.5A)
None
 0.36A 5ghyB-1i2wA:
46.5		 5ghyB-1i2wA:
91.84
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)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		6 / 12 ALA A  69
SER A  70
TYR A 105
ASN A 132
GLY A 236
ARG A 244
 CFX  A1300 (-3.5A)
CFX  A1300 (-1.3A)
CFX  A1300 ( 4.9A)
CFX  A1300 (-3.0A)
CFX  A1300 (-3.3A)
CFX  A1300 (-3.5A)
 1.14A 5ghyB-1i2wA:
46.5		 5ghyB-1i2wA:
91.84
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)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		10 / 11 ALA A  69
SER A  70
TYR A 105
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
ALA A 237
ARG A 244
 CFX  A1300 (-3.5A)
CFX  A1300 (-1.3A)
CFX  A1300 ( 4.9A)
CFX  A1300 (-3.1A)
CFX  A1300 (-3.0A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.6A)
CFX  A1300 (-3.3A)
CFX  A1300 (-3.4A)
CFX  A1300 (-3.5A)
 0.37A 5ghzA-1i2wA:
46.8		 5ghzA-1i2wA:
91.84
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)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		9 / 10 ALA A  69
SER A  70
TYR A 105
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
ARG A 244
 CFX  A1300 (-3.5A)
CFX  A1300 (-1.3A)
CFX  A1300 ( 4.9A)
CFX  A1300 (-3.1A)
CFX  A1300 (-3.0A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.6A)
CFX  A1300 (-3.3A)
CFX  A1300 (-3.5A)
 0.38A 5ghzB-1i2wA:
46.6		 5ghzB-1i2wA:
91.84
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.
5WM2_A_ACTA605_0
(SALICYLATE-AMP
LIGASE)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		3 / 3 THR A 216
THR A 235
ARG A 244
 CFX  A1300 (-3.2A)
CFX  A1300 (-3.6A)
CFX  A1300 (-3.5A)
 0.99A 5wm2A-1i2wA:
undetectable		 5wm2A-1i2wA:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B5Y_B_9F2B400_1
(BETA-LACTAMASE)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		7 / 12 SER A  70
SER A 130
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
 CFX  A1300 (-1.3A)
CFX  A1300 (-3.1A)
CFX  A1300 (-3.2A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.6A)
CFX  A1300 (-3.3A)
CFX  A1300 ( 4.1A)
 0.45A 6b5yB-1i2wA:
41.7		 6b5yB-1i2wA:
17.48
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.
6B5Y_D_9F2D400_1
(BETA-LACTAMASE)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		7 / 12 SER A  70
SER A 130
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
 CFX  A1300 (-1.3A)
CFX  A1300 (-3.1A)
CFX  A1300 (-3.2A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.6A)
CFX  A1300 (-3.3A)
CFX  A1300 ( 4.1A)
 0.49A 6b5yD-1i2wA:
41.8		 6b5yD-1i2wA:
17.48
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.
6B68_B_9F2B301_1
(BETA-LACTAMASE)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		7 / 12 SER A  70
SER A 130
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
 CFX  A1300 (-1.3A)
CFX  A1300 (-3.1A)
CFX  A1300 (-3.2A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.6A)
CFX  A1300 (-3.3A)
CFX  A1300 ( 4.1A)
 0.38A 6b68B-1i2wA:
42.0		 6b68B-1i2wA:
17.48
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.
6B68_D_9F2D400_1
(BETA-LACTAMASE)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		6 / 12 SER A  70
SER A 130
THR A 216
LYS A 234
GLY A 236
GLY A 238
 CFX  A1300 (-1.3A)
CFX  A1300 (-3.1A)
CFX  A1300 (-3.2A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.3A)
CFX  A1300 ( 4.1A)
 0.42A 6b68D-1i2wA:
41.8		 6b68D-1i2wA:
17.48
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.
6B69_B_9F2B301_1
(BETA-LACTAMASE)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		8 / 12 SER A  70
SER A 130
PRO A 167
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
 CFX  A1300 (-1.3A)
CFX  A1300 (-3.1A)
CFX  A1300 (-4.4A)
CFX  A1300 (-3.2A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.6A)
CFX  A1300 (-3.3A)
CFX  A1300 ( 4.1A)
 0.40A 6b69A-1i2wA:
41.6
6b69B-1i2wA:
41.9		 6b69A-1i2wA:
17.48
6b69B-1i2wA:
17.48
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.
6B69_D_9F2D301_1
(BETA-LACTAMASE)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		7 / 12 SER A  70
SER A 130
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
 CFX  A1300 (-1.3A)
CFX  A1300 (-3.1A)
CFX  A1300 (-3.2A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.6A)
CFX  A1300 (-3.3A)
CFX  A1300 ( 4.1A)
 0.38A 6b69D-1i2wA:
41.8		 6b69D-1i2wA:
17.48
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.
6B6A_B_9F2B301_1
(BETA-LACTAMASE)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		7 / 12 SER A  70
SER A 130
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
 CFX  A1300 (-1.3A)
CFX  A1300 (-3.1A)
CFX  A1300 (-3.2A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.6A)
CFX  A1300 (-3.3A)
CFX  A1300 ( 4.1A)
 0.41A 6b6aB-1i2wA:
41.6		 6b6aB-1i2wA:
17.48
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.
6B6A_D_9F2D301_1
(BETA-LACTAMASE)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		6 / 12 SER A  70
SER A 130
LYS A 234
THR A 235
GLY A 236
GLY A 238
 CFX  A1300 (-1.3A)
CFX  A1300 (-3.1A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.6A)
CFX  A1300 (-3.3A)
CFX  A1300 ( 4.1A)
 0.35A 6b6aD-1i2wA:
41.5		 6b6aD-1i2wA:
17.48
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.
6B6C_A_9F2A301_1
(BETA-LACTAMASE)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		6 / 12 SER A  70
SER A 130
ARG A 244
LYS A 234
THR A 235
GLY A 236
 CFX  A1300 (-1.3A)
CFX  A1300 (-3.1A)
CFX  A1300 (-3.5A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.6A)
CFX  A1300 (-3.3A)
 1.16A 6b6cA-1i2wA:
41.3		 6b6cA-1i2wA:
17.48
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.
6B6C_A_9F2A301_1
(BETA-LACTAMASE)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		7 / 12 SER A  70
SER A 130
PRO A 167
LYS A 234
THR A 235
GLY A 236
GLY A 238
 CFX  A1300 (-1.3A)
CFX  A1300 (-3.1A)
CFX  A1300 (-4.4A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.6A)
CFX  A1300 (-3.3A)
CFX  A1300 ( 4.1A)
 0.53A 6b6cA-1i2wA:
41.3		 6b6cA-1i2wA:
17.48
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.
6B6D_A_9F2A302_1
(BETA-LACTAMASE)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		7 / 12 SER A  70
SER A 130
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
 CFX  A1300 (-1.3A)
CFX  A1300 (-3.1A)
CFX  A1300 (-3.2A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.6A)
CFX  A1300 (-3.3A)
CFX  A1300 ( 4.1A)
 0.60A 6b6dA-1i2wA:
41.1		 6b6dA-1i2wA:
17.48
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.
6B6E_A_9F2A302_1
(BETA-LACTAMASE)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		7 / 12 SER A  70
SER A 130
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
 CFX  A1300 (-1.3A)
CFX  A1300 (-3.1A)
CFX  A1300 (-3.2A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.6A)
CFX  A1300 (-3.3A)
CFX  A1300 ( 4.1A)
 0.40A 6b6eA-1i2wA:
41.2		 6b6eA-1i2wA:
17.48
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.
6B6F_A_9F2A301_1
(BETA-LACTAMASE)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		7 / 12 SER A  70
SER A 130
PRO A 167
LYS A 234
THR A 235
GLY A 236
GLY A 238
 CFX  A1300 (-1.3A)
CFX  A1300 (-3.1A)
CFX  A1300 (-4.4A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.6A)
CFX  A1300 (-3.3A)
CFX  A1300 ( 4.1A)
 0.58A 6b6fA-1i2wA:
40.9		 6b6fA-1i2wA:
17.48
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)		 1i2w BETA-LACTAMASE
(Bacillus
licheniformis) 		8 / 12 ASN A 104
TYR A 105
SER A 130
ASN A 132
THR A 216
LYS A 234
GLY A 236
GLY A 238
 CFX  A1300 (-3.9A)
CFX  A1300 ( 4.9A)
CFX  A1300 (-3.1A)
CFX  A1300 (-3.0A)
CFX  A1300 (-3.2A)
CFX  A1300 ( 3.9A)
CFX  A1300 (-3.3A)
CFX  A1300 ( 4.1A)
 0.36A 6c79A-1i2wA:
41.4		 6c79A-1i2wA:
36.46