SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4c6y'

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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		6 / 12 SER A  70
LYS A  73
SER A 130
ASN A 132
LYS A 234
GLY A 236
 PEG  A 307 (-2.4A)
PEG  A 307 ( 3.6A)
PEG  A 307 (-2.4A)
PEG  A 307 (-3.1A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-2.7A)
 0.31A 1ghmA-4c6yA:
37.1		 1ghmA-4c6yA:
35.61
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.
1GTN_O_TRPO81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		5 / 10 GLY A  62
ALA A 187
THR A 181
THR A 182
ALA A 188
 None
PEG  A 301 ( 3.6A)
None
None
PEG  A 294 (-2.5A)
 1.32A 1gtnO-4c6yA:
undetectable
1gtnP-4c6yA:
undetectable		 1gtnO-4c6yA:
15.18
1gtnP-4c6yA:
15.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTN_Q_TRPQ81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		5 / 9 GLY A  62
ALA A 187
THR A 181
THR A 182
ALA A 188
 None
PEG  A 301 ( 3.6A)
None
None
PEG  A 294 (-2.5A)
 1.32A 1gtnQ-4c6yA:
undetectable
1gtnR-4c6yA:
undetectable		 1gtnQ-4c6yA:
15.18
1gtnR-4c6yA:
15.18
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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		8 / 12 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
THR A 216
LYS A 234
GLY A 236
 PEG  A 307 (-2.4A)
PEG  A 307 ( 3.6A)
PEG  A 307 (-2.4A)
PEG  A 307 (-3.1A)
None
PEG  A 307 ( 4.3A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-2.7A)
 0.44A 1i2wA-4c6yA:
40.5		 1i2wA-4c6yA:
46.95
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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		7 / 12 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
THR A 216
GLY A 236
 PEG  A 307 (-2.4A)
PEG  A 307 ( 3.6A)
PEG  A 307 (-2.4A)
PEG  A 307 (-3.1A)
None
PEG  A 307 ( 4.3A)
PEG  A 307 (-2.7A)
 0.47A 1i2wB-4c6yA:
40.5		 1i2wB-4c6yA:
46.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1I2W_B_CFXB2300_1
(BETA-LACTAMASE)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		6 / 12 SER A  70
LYS A  73
SER A 130
ASN A 132
GLY A 236
ARG A 220
 PEG  A 307 (-2.4A)
PEG  A 307 ( 3.6A)
PEG  A 307 (-2.4A)
PEG  A 307 (-3.1A)
PEG  A 307 (-2.7A)
PEG  A 307 ( 3.6A)
 1.05A 1i2wB-4c6yA:
40.5		 1i2wB-4c6yA:
46.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JLB_A_NVPA999_1
(HIV-1 RT A-CHAIN)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		4 / 8 LEU A  36
VAL A  46
GLY A  45
LEU A 285
 PEG  A 297 ( 4.8A)
None
None
None
 0.96A 1jlbA-4c6yA:
2.1		 1jlbA-4c6yA:
19.29
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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		10 / 12 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
ASN A 170
THR A 216
LYS A 234
GLY A 236
GLY A 238
 PEG  A 307 (-2.4A)
PEG  A 307 ( 3.6A)
PEG  A 307 (-2.4A)
PEG  A 307 (-3.1A)
None
PEG  A 307 ( 4.3A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-2.7A)
None
 0.45A 1ymxA-4c6yA:
43.5		 1ymxA-4c6yA:
58.56
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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		9 / 12 SER A  70
LYS A  73
SER A 130
ASN A 132
GLU A 166
ASN A 170
LYS A 234
GLY A 236
GLY A 238
 PEG  A 307 (-2.4A)
PEG  A 307 ( 3.6A)
PEG  A 307 (-2.4A)
PEG  A 307 (-3.1A)
None
PEG  A 307 ( 4.3A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-2.7A)
None
 0.41A 1ymxB-4c6yA:
43.4		 1ymxB-4c6yA:
58.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YMX_B_CFXB1002_2
(BETA-LACTAMASE
CTX-M-9)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		4 / 5 CYH A  69
PRO A 167
THR A 216
THR A 235
 None
GOL  A 306 (-4.0A)
PEG  A 307 ( 4.3A)
PEG  A 307 (-3.0A)
 0.27A 1ymxB-4c6yA:
43.4		 1ymxB-4c6yA:
58.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YMX_B_CFXB1002_2
(BETA-LACTAMASE
CTX-M-9)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		4 / 5 TYR A 105
PRO A 167
THR A 216
THR A 235
 PEG  A 307 ( 3.2A)
GOL  A 306 (-4.0A)
PEG  A 307 ( 4.3A)
PEG  A 307 (-3.0A)
 0.82A 1ymxB-4c6yA:
43.4		 1ymxB-4c6yA:
58.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HA4_B_ACTB601_0
(ACETYLCHOLINESTERASE)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		4 / 7 GLY A 144
GLY A 143
ALA A 146
ALA A 147
 None
None
None
PG4  A 291 ( 3.9A)
 0.68A 2ha4B-4c6yA:
undetectable		 2ha4B-4c6yA:
19.42
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.
2VCV_D_ASDD1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		5 / 9 PRO A 145
LEU A 162
LEU A 139
ALA A 135
PHE A  72
 None
 1.14A 2vcvD-4c6yA:
undetectable		 2vcvD-4c6yA:
24.39
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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		9 / 12 LYS A  73
TYR A 105
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 236
GLY A 238
 PEG  A 307 ( 3.6A)
PEG  A 307 ( 3.2A)
PEG  A 307 (-2.4A)
PEG  A 307 (-3.1A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-2.7A)
None
 0.48A 3hlwA-4c6yA:
43.6		 3hlwA-4c6yA:
58.17
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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		6 / 12 GLY A 236
TYR A 105
SER A 130
THR A 216
LYS A 234
GLY A 238
 PEG  A 307 (-2.7A)
PEG  A 307 ( 3.2A)
PEG  A 307 (-2.4A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 3.4A)
None
 1.50A 3hlwB-4c6yA:
43.6		 3hlwB-4c6yA:
58.17
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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		9 / 12 TYR A 105
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
 PEG  A 307 ( 3.2A)
PEG  A 307 (-2.4A)
PEG  A 307 (-3.1A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-3.0A)
PEG  A 307 (-2.7A)
None
 0.38A 3hlwB-4c6yA:
43.6		 3hlwB-4c6yA:
58.17
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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		8 / 12 CYH A  69
LYS A  73
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
GLY A 238
 None
PEG  A 307 ( 3.6A)
PEG  A 307 (-3.1A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-3.0A)
PEG  A 307 (-2.7A)
None
 0.27A 3huoA-4c6yA:
43.5		 3huoA-4c6yA:
58.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		5 / 6 THR A  51
LEU A 195
GLY A 196
ALA A 257
PRO A 258
 None
 0.24A 3huoA-4c6yA:
43.5		 3huoA-4c6yA:
58.17
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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		7 / 12 CYH A  69
LYS A  73
ASN A 132
ASN A 170
LYS A 234
GLY A 236
GLY A 238
 None
PEG  A 307 ( 3.6A)
PEG  A 307 (-3.1A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-2.7A)
None
 0.28A 3huoB-4c6yA:
43.5		 3huoB-4c6yA:
58.17
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		6 / 12 SER A  70
LYS A  73
ASN A 132
THR A 235
GLY A 236
ARG A 220
 PEG  A 307 (-2.4A)
PEG  A 307 ( 3.6A)
PEG  A 307 (-3.1A)
PEG  A 307 (-3.0A)
PEG  A 307 (-2.7A)
PEG  A 307 ( 3.6A)
 0.77A 3mzeA-4c6yA:
21.9		 3mzeA-4c6yA:
18.57
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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		10 / 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
GLY A 238
 PEG  A 307 (-2.4A)
PEG  A 307 (-2.4A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 3.6A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-3.0A)
PEG  A 307 (-2.7A)
PEG  A 307 (-3.9A)
None
 0.43A 3ny4A-4c6yA:
40.0		 3ny4A-4c6yA:
53.73
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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		7 / 12 LYS A  73
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
GLY A 238
 PEG  A 307 ( 3.6A)
PEG  A 307 (-2.4A)
PEG  A 307 (-3.1A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-2.7A)
None
 0.30A 3q07A-4c6yA:
43.4		 3q07A-4c6yA:
58.17
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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		7 / 12 LYS A  73
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
GLY A 238
 PEG  A 307 ( 3.6A)
PEG  A 307 (-2.4A)
PEG  A 307 (-3.1A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-2.7A)
None
 0.39A 3q07B-4c6yA:
43.4		 3q07B-4c6yA:
58.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RUN_A_CCSA165_0
(LYSOZYME)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		3 / 3 ASN A 214
ALA A 213
LYS A 215
 None
 1.01A 3runA-4c6yA:
undetectable		 3runA-4c6yA:
22.78
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.
3SAN_A_ZMRA901_1
(NEURAMINIDASE)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		5 / 12 ARG A 220
ALA A 135
GLU A 166
ASN A 132
TYR A 105
 PEG  A 307 ( 3.6A)
None
None
PEG  A 307 (-3.1A)
PEG  A 307 ( 3.2A)
 1.41A 3sanA-4c6yA:
undetectable		 3sanA-4c6yA:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SAN_B_ZMRB901_1
(NEURAMINIDASE)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		5 / 12 ARG A 220
ALA A 135
GLU A 166
ASN A 132
TYR A 105
 PEG  A 307 ( 3.6A)
None
None
PEG  A 307 (-3.1A)
PEG  A 307 ( 3.2A)
 1.40A 3sanB-4c6yA:
undetectable		 3sanB-4c6yA:
22.66
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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		6 / 12 SER A  70
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
 PEG  A 307 (-2.4A)
PEG  A 307 (-2.4A)
PEG  A 307 (-3.1A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-3.0A)
PEG  A 307 (-2.7A)
 0.21A 3sh8A-4c6yA:
39.1		 3sh8A-4c6yA:
47.91
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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		7 / 12 SER A  70
LYS A  73
SER A 130
ASN A 132
LYS A 234
GLY A 236
ARG A 220
 PEG  A 307 (-2.4A)
PEG  A 307 ( 3.6A)
PEG  A 307 (-2.4A)
PEG  A 307 (-3.1A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-2.7A)
PEG  A 307 ( 3.6A)
 0.98A 3sh8B-4c6yA:
39.1		 3sh8B-4c6yA:
47.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ECK_B_FOLB703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		5 / 12 ALA A 248
LEU A 225
ASP A 246
LEU A  33
VAL A  48
 None
ACT  A 296 (-4.4A)
None
None
None
 1.16A 4eckB-4c6yA:
undetectable		 4eckB-4c6yA:
18.39
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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		9 / 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
THR A 237
 PEG  A 307 ( 3.6A)
PEG  A 307 (-2.4A)
PEG  A 307 (-3.1A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-3.0A)
PEG  A 307 (-2.7A)
PEG  A 307 (-3.9A)
 0.47A 4euzA-4c6yA:
41.2		 4euzA-4c6yA:
49.47
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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		6 / 10 TYR A 105
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
 PEG  A 307 ( 3.2A)
PEG  A 307 (-2.4A)
PEG  A 307 (-3.1A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-3.0A)
PEG  A 307 (-2.7A)
 0.67A 4fh2A-4c6yA:
39.3		 4fh2A-4c6yA:
52.85
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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		6 / 10 TYR A 105
SER A 130
ASN A 132
THR A 235
GLY A 236
ARG A 220
 PEG  A 307 ( 3.2A)
PEG  A 307 (-2.4A)
PEG  A 307 (-3.1A)
PEG  A 307 (-3.0A)
PEG  A 307 (-2.7A)
PEG  A 307 ( 3.6A)
 1.32A 4fh2A-4c6yA:
39.3		 4fh2A-4c6yA:
52.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KCN_A_MTLA804_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		4 / 6 ARG A 161
ASP A 176
ASP A 163
ARG A 178
 PEG  A 292 ( 4.8A)
None
PEG  A 292 (-3.5A)
None
 1.38A 4kcnA-4c6yA:
undetectable		 4kcnA-4c6yA:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KCN_B_MTLB805_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		4 / 6 ARG A 161
ASP A 176
ASP A 163
ARG A 178
 PEG  A 292 ( 4.8A)
None
PEG  A 292 (-3.5A)
None
 1.35A 4kcnB-4c6yA:
undetectable		 4kcnB-4c6yA:
20.15
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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		7 / 12 SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 PEG  A 307 (-2.4A)
PEG  A 307 (-2.4A)
PEG  A 307 (-3.1A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-3.0A)
PEG  A 307 (-2.7A)
 0.40A 4n9kA-4c6yA:
40.8		 4n9kA-4c6yA:
47.92
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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		7 / 12 SER A  70
TYR A 105
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
 PEG  A 307 (-2.4A)
PEG  A 307 ( 3.2A)
PEG  A 307 (-2.4A)
PEG  A 307 (-3.1A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-3.0A)
PEG  A 307 (-2.7A)
 0.53A 4n9kA-4c6yA:
40.8		 4n9kA-4c6yA:
47.92
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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		7 / 12 SER A  70
TYR A 105
SER A 130
ASN A 132
THR A 235
GLY A 236
ARG A 220
 PEG  A 307 (-2.4A)
PEG  A 307 ( 3.2A)
PEG  A 307 (-2.4A)
PEG  A 307 (-3.1A)
PEG  A 307 (-3.0A)
PEG  A 307 (-2.7A)
PEG  A 307 ( 3.6A)
 1.09A 4n9kA-4c6yA:
40.8		 4n9kA-4c6yA:
47.92
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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		7 / 12 SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 PEG  A 307 (-2.4A)
PEG  A 307 (-2.4A)
PEG  A 307 (-3.1A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-3.0A)
PEG  A 307 (-2.7A)
 0.42A 4n9kB-4c6yA:
40.7		 4n9kB-4c6yA:
47.92
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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		7 / 12 SER A  70
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
ARG A 220
 PEG  A 307 (-2.4A)
PEG  A 307 (-2.4A)
PEG  A 307 (-3.1A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-3.0A)
PEG  A 307 (-2.7A)
PEG  A 307 ( 3.6A)
 1.01A 4n9kB-4c6yA:
40.7		 4n9kB-4c6yA:
47.92
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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		8 / 12 SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
 PEG  A 307 (-2.4A)
PEG  A 307 (-3.1A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-3.0A)
PEG  A 307 (-2.7A)
None
 0.56A 4pm5A-4c6yA:
43.4		 4pm5A-4c6yA:
58.56
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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		7 / 12 TYR A 105
SER A 130
ASN A 132
THR A 216
LYS A 234
THR A 235
GLY A 238
 PEG  A 307 ( 3.2A)
PEG  A 307 (-2.4A)
PEG  A 307 (-3.1A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-3.0A)
None
 0.82A 4pm5A-4c6yA:
43.4		 4pm5A-4c6yA:
58.56
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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		8 / 12 LYS A  73
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 236
GLY A 238
 PEG  A 307 ( 3.6A)
PEG  A 307 (-2.4A)
PEG  A 307 (-3.1A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-2.7A)
None
 0.63A 4pm7A-4c6yA:
43.3		 4pm7A-4c6yA:
58.56
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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		8 / 12 LYS A  73
TYR A 105
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 238
 PEG  A 307 ( 3.6A)
PEG  A 307 ( 3.2A)
PEG  A 307 (-2.4A)
PEG  A 307 (-3.1A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 3.4A)
None
 0.86A 4pm7A-4c6yA:
43.3		 4pm7A-4c6yA:
58.56
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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		8 / 12 SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
 PEG  A 307 (-2.4A)
PEG  A 307 (-3.1A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-3.0A)
PEG  A 307 (-2.7A)
None
 0.56A 4pm9A-4c6yA:
43.5		 4pm9A-4c6yA:
58.78
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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		8 / 12 TYR A 105
SER A 130
ASN A 132
THR A 216
LYS A 234
THR A 235
GLY A 236
GLY A 238
 PEG  A 307 ( 3.2A)
PEG  A 307 (-2.4A)
PEG  A 307 (-3.1A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-3.0A)
PEG  A 307 (-2.7A)
None
 0.72A 4pm9A-4c6yA:
43.5		 4pm9A-4c6yA:
58.78
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.
5DSG_B_0HKB1201_2
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M4,ENDOLYSIN,ENDOLYS
IN,MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		3 / 3 ASP A 233
ASN A 245
PHE A  72
 None
 0.72A 5dsgB-4c6yA:
undetectable		 5dsgB-4c6yA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DX3_A_ESTA601_1
(ESTROGEN RECEPTOR)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		5 / 10 LEU A  81
ALA A  77
LEU A 138
GLY A 144
LEU A 148
 None
 1.35A 5dx3A-4c6yA:
undetectable		 5dx3A-4c6yA:
23.10
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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		6 / 12 SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
 PEG  A 307 (-2.4A)
PEG  A 307 (-2.4A)
PEG  A 307 (-3.1A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-2.7A)
 0.46A 5ghyA-4c6yA:
40.7		 5ghyA-4c6yA:
47.92
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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		6 / 12 SER A  70
SER A 130
ASN A 132
LYS A 234
GLY A 236
ARG A 220
 PEG  A 307 (-2.4A)
PEG  A 307 (-2.4A)
PEG  A 307 (-3.1A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-2.7A)
PEG  A 307 ( 3.6A)
 1.04A 5ghyA-4c6yA:
40.7		 5ghyA-4c6yA:
47.92
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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		6 / 12 SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
GLY A 236
 PEG  A 307 (-2.4A)
PEG  A 307 (-2.4A)
PEG  A 307 (-3.1A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-2.7A)
 0.48A 5ghyB-4c6yA:
40.6		 5ghyB-4c6yA:
47.92
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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		6 / 12 SER A  70
SER A 130
ASN A 132
LYS A 234
GLY A 236
ARG A 220
 PEG  A 307 (-2.4A)
PEG  A 307 (-2.4A)
PEG  A 307 (-3.1A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-2.7A)
PEG  A 307 ( 3.6A)
 1.05A 5ghyB-4c6yA:
40.6		 5ghyB-4c6yA:
47.92
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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		7 / 11 SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 PEG  A 307 (-2.4A)
PEG  A 307 (-2.4A)
PEG  A 307 (-3.1A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-3.0A)
PEG  A 307 (-2.7A)
 0.41A 5ghzA-4c6yA:
40.7		 5ghzA-4c6yA:
47.92
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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		6 / 11 TYR A 105
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
 PEG  A 307 ( 3.2A)
PEG  A 307 (-2.4A)
PEG  A 307 (-3.1A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-3.0A)
PEG  A 307 (-2.7A)
 0.60A 5ghzA-4c6yA:
40.7		 5ghzA-4c6yA:
47.92
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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		7 / 10 SER A  70
SER A 130
ASN A 132
ASN A 170
LYS A 234
THR A 235
GLY A 236
 PEG  A 307 (-2.4A)
PEG  A 307 (-2.4A)
PEG  A 307 (-3.1A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-3.0A)
PEG  A 307 (-2.7A)
 0.38A 5ghzB-4c6yA:
40.7		 5ghzB-4c6yA:
47.92
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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		6 / 10 TYR A 105
SER A 130
ASN A 132
LYS A 234
THR A 235
GLY A 236
 PEG  A 307 ( 3.2A)
PEG  A 307 (-2.4A)
PEG  A 307 (-3.1A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-3.0A)
PEG  A 307 (-2.7A)
 0.58A 5ghzB-4c6yA:
40.7		 5ghzB-4c6yA:
47.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OJ0_A_9WTA801_0
(PENICILLIN-BINDING
PROTEIN 2X)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		5 / 12 SER A 130
ASN A 132
THR A 216
GLY A 236
THR A 237
 PEG  A 307 (-2.4A)
PEG  A 307 (-3.1A)
PEG  A 307 ( 4.3A)
PEG  A 307 (-2.7A)
PEG  A 307 (-3.9A)
 1.22A 5oj0A-4c6yA:
7.6		 5oj0A-4c6yA:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UXC_A_ZITA306_1
(PREDICTED
AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		4 / 7 THR A 149
PHE A  72
ASP A 179
LEU A 169
 None
 1.29A 5uxcA-4c6yA:
undetectable		 5uxcA-4c6yA:
25.40
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.
5WGQ_B_ESTB601_1
(ESTROGEN RECEPTOR)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		5 / 10 ALA A  78
LEU A 193
LEU A 190
MET A  68
LEU A 148
 None
 1.44A 5wgqB-4c6yA:
undetectable		 5wgqB-4c6yA:
15.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YVN_A_ACTA305_0
(GLUTATHIONE
S-TRANSFERASE
OMEGA-1)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		4 / 6 LEU A 169
LYS A  73
LEU A  76
LEU A 139
 None
PEG  A 307 ( 3.6A)
None
None
 1.01A 5yvnA-4c6yA:
undetectable		 5yvnA-4c6yA:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B5Y_B_9F2B400_1
(BETA-LACTAMASE)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		11 / 12 CYH A  69
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
GLY A 238
 None
PEG  A 307 (-2.4A)
PEG  A 307 (-2.4A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 3.6A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-3.0A)
PEG  A 307 (-2.7A)
PEG  A 307 (-3.9A)
None
 0.37A 6b5yB-4c6yA:
40.3		 6b5yB-4c6yA:
25.82
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		10 / 12 CYH A  69
SER A  70
SER A 130
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
THR A 237
GLY A 238
 None
PEG  A 307 (-2.4A)
PEG  A 307 (-2.4A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-3.0A)
PEG  A 307 (-2.7A)
PEG  A 307 (-3.9A)
None
 0.39A 6b5yD-4c6yA:
40.4		 6b5yD-4c6yA:
25.82
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		10 / 12 CYH A  69
SER A  70
SER A 130
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
THR A 237
GLY A 238
 None
PEG  A 307 (-2.4A)
PEG  A 307 (-2.4A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-3.0A)
PEG  A 307 (-2.7A)
PEG  A 307 (-3.9A)
None
 0.26A 6b68B-4c6yA:
40.6		 6b68B-4c6yA:
25.82
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		9 / 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
GLY A 238
 PEG  A 307 (-2.4A)
PEG  A 307 (-2.4A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 3.6A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-2.7A)
PEG  A 307 (-3.9A)
None
 0.31A 6b68D-4c6yA:
40.4		 6b68D-4c6yA:
25.82
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		10 / 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
THR A 237
GLY A 238
 PEG  A 307 (-2.4A)
PEG  A 307 (-2.4A)
GOL  A 306 (-4.0A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-3.0A)
PEG  A 307 (-2.7A)
PEG  A 307 (-3.9A)
None
 0.28A 6b69A-4c6yA:
40.4
6b69B-4c6yA:
40.3		 6b69A-4c6yA:
25.82
6b69B-4c6yA:
25.82
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		11 / 12 CYH A  69
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
GLY A 238
 None
PEG  A 307 (-2.4A)
PEG  A 307 (-2.4A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 3.6A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-3.0A)
PEG  A 307 (-2.7A)
PEG  A 307 (-3.9A)
None
 0.31A 6b69D-4c6yA:
40.3		 6b69D-4c6yA:
25.82
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		11 / 12 CYH A  69
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
GLY A 238
 None
PEG  A 307 (-2.4A)
PEG  A 307 (-2.4A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 3.6A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-3.0A)
PEG  A 307 (-2.7A)
PEG  A 307 (-3.9A)
None
 0.29A 6b6aB-4c6yA:
40.5		 6b6aB-4c6yA:
25.82
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		9 / 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
GLY A 238
 PEG  A 307 (-2.4A)
PEG  A 307 (-2.4A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 3.6A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-3.0A)
PEG  A 307 (-2.7A)
PEG  A 307 (-3.9A)
None
 0.26A 6b6aD-4c6yA:
40.4		 6b6aD-4c6yA:
25.82
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		10 / 12 SER A  70
SER A 130
PRO A 167
ASN A 170
ARG A 220
LYS A 234
THR A 235
GLY A 236
THR A 237
GLY A 238
 PEG  A 307 (-2.4A)
PEG  A 307 (-2.4A)
GOL  A 306 (-4.0A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 3.6A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-3.0A)
PEG  A 307 (-2.7A)
PEG  A 307 (-3.9A)
None
 0.41A 6b6cA-4c6yA:
40.2		 6b6cA-4c6yA:
25.82
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		9 / 12 CYH A  69
SER A  70
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
THR A 237
GLY A 238
 None
PEG  A 307 (-2.4A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-3.0A)
PEG  A 307 (-2.7A)
PEG  A 307 (-3.9A)
None
 0.32A 6b6dA-4c6yA:
40.0		 6b6dA-4c6yA:
25.82
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		9 / 12 CYH A  69
SER A  70
SER A 130
THR A 216
LYS A 234
THR A 235
GLY A 236
THR A 237
GLY A 238
 None
PEG  A 307 (-2.4A)
PEG  A 307 (-2.4A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-3.0A)
PEG  A 307 (-2.7A)
PEG  A 307 (-3.9A)
None
 0.52A 6b6dA-4c6yA:
40.0		 6b6dA-4c6yA:
25.82
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		10 / 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
GLY A 238
 PEG  A 307 (-2.4A)
PEG  A 307 (-2.4A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 3.6A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-3.0A)
PEG  A 307 (-2.7A)
PEG  A 307 (-3.9A)
None
 0.29A 6b6eA-4c6yA:
40.2		 6b6eA-4c6yA:
25.82
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		10 / 12 CYH A  69
SER A  70
SER A 130
PRO A 167
ASN A 170
LYS A 234
THR A 235
GLY A 236
THR A 237
GLY A 238
 None
PEG  A 307 (-2.4A)
PEG  A 307 (-2.4A)
GOL  A 306 (-4.0A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-3.0A)
PEG  A 307 (-2.7A)
PEG  A 307 (-3.9A)
None
 0.43A 6b6fA-4c6yA:
40.0		 6b6fA-4c6yA:
25.82
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)		 4c6y BETA-LACTAMASE
(synthetic
construct) 		8 / 12 TYR A 105
SER A 130
ASN A 132
ASN A 170
THR A 216
LYS A 234
GLY A 236
GLY A 238
 PEG  A 307 ( 3.2A)
PEG  A 307 (-2.4A)
PEG  A 307 (-3.1A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 4.3A)
PEG  A 307 ( 3.4A)
PEG  A 307 (-2.7A)
None
 0.53A 6c79A-4c6yA:
43.1		 6c79A-4c6yA:
51.85