SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'WW2'


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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		4 / 8 GLY A1142
GLU A1220
SER A1221
HIS A1468
 WW2  A 193 (-3.4A)
WW2  A 193 ( 4.2A)
WW2  A 193 (-1.4A)
None
 0.67A 1ax9A-3k9bA:
49.4		 1ax9A-3k9bA:
37.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DX6_A_GNTA602_1
(ACETYLCHOLINESTERASE)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		5 / 12 GLY A1141
GLY A1142
GLY A1143
SER A1221
HIS A1468
 WW2  A 193 (-3.8A)
WW2  A 193 (-3.4A)
WW2  A 193 (-3.4A)
WW2  A 193 (-1.4A)
None
 0.42A 1dx6A-3k9bA:
52.4		 1dx6A-3k9bA:
37.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FOH_C_IPHC802_0
(PHENOL HYDROXYLASE)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		5 / 10 GLY A1224
VAL A1227
ILE A1139
TYR A1170
GLY A1141
 None
None
None
None
WW2  A 193 (-3.8A)
 1.38A 1fohC-3k9bA:
undetectable		 1fohC-3k9bA:
20.91
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.
1FOH_D_IPHD802_0
(PHENOL HYDROXYLASE)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		5 / 10 GLY A1224
VAL A1227
ILE A1139
TYR A1170
GLY A1141
 None
None
None
None
WW2  A 193 (-3.8A)
 1.40A 1fohD-3k9bA:
undetectable		 1fohD-3k9bA:
20.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MAA_D_DMED999_1
(ACETYLCHOLINESTERASE)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		4 / 8 GLY A1142
GLU A1220
SER A1221
HIS A1468
 WW2  A 193 (-3.4A)
WW2  A 193 ( 4.2A)
WW2  A 193 (-1.4A)
None
 0.32A 1maaD-3k9bA:
45.2		 1maaD-3k9bA:
35.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MAA_D_DMED999_1
(ACETYLCHOLINESTERASE)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		4 / 8 GLY A1143
GLU A1220
SER A1221
HIS A1468
 WW2  A 193 (-3.4A)
WW2  A 193 ( 4.2A)
WW2  A 193 (-1.4A)
None
 0.97A 1maaD-3k9bA:
45.2		 1maaD-3k9bA:
35.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MX1_A_THAA1_1
(LIVER
CARBOXYLESTERASE I)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		10 / 11 LEU A1097
PHE A1101
GLY A1142
GLY A1143
SER A1221
VAL A1254
LEU A1255
LEU A1363
MET A1364
HIS A1468
 WW2  A 193 ( 4.9A)
None
WW2  A 193 (-3.4A)
WW2  A 193 (-3.4A)
WW2  A 193 (-1.4A)
None
None
WW2  A 193 (-3.8A)
None
None
 0.46A 1mx1A-3k9bA:
67.2		 1mx1A-3k9bA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MX1_B_THAB2_1
(LIVER
CARBOXYLESTERASE I)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		9 / 11 LEU A1097
PHE A1101
GLY A1142
SER A1221
VAL A1254
LEU A1358
LEU A1363
MET A1425
HIS A1468
 WW2  A 193 ( 4.9A)
None
WW2  A 193 (-3.4A)
WW2  A 193 (-1.4A)
None
None
WW2  A 193 (-3.8A)
None
None
 0.38A 1mx1B-3k9bA:
62.1		 1mx1B-3k9bA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MX1_B_THAB2_1
(LIVER
CARBOXYLESTERASE I)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		5 / 11 PHE A1101
GLY A1142
LEU A1255
LEU A1358
HIS A1468
 None
WW2  A 193 (-3.4A)
None
None
None
 1.29A 1mx1B-3k9bA:
62.1		 1mx1B-3k9bA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MX1_C_THAC3_1
(LIVER
CARBOXYLESTERASE I)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		5 / 12 GLY A1143
SER A1221
LEU A1363
PHE A1426
HIS A1468
 WW2  A 193 (-3.4A)
WW2  A 193 (-1.4A)
WW2  A 193 (-3.8A)
None
None
 0.94A 1mx1C-3k9bA:
62.1		 1mx1C-3k9bA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MX1_C_THAC3_1
(LIVER
CARBOXYLESTERASE I)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		10 / 12 LEU A1097
GLY A1142
SER A1221
THR A1252
VAL A1254
LEU A1255
LEU A1363
MET A1425
PHE A1426
HIS A1468
 WW2  A 193 ( 4.9A)
WW2  A 193 (-3.4A)
WW2  A 193 (-1.4A)
None
None
None
WW2  A 193 (-3.8A)
None
None
None
 0.45A 1mx1C-3k9bA:
62.1		 1mx1C-3k9bA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MX1_D_THAD4_1
(LIVER
CARBOXYLESTERASE I)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		6 / 12 GLY A1143
SER A1221
ILE A1359
LEU A1363
PHE A1426
HIS A1468
 WW2  A 193 (-3.4A)
WW2  A 193 (-1.4A)
WW2  A 193 ( 4.3A)
WW2  A 193 (-3.8A)
None
None
 0.88A 1mx1D-3k9bA:
62.0		 1mx1D-3k9bA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MX1_D_THAD4_1
(LIVER
CARBOXYLESTERASE I)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		10 / 12 LEU A1097
GLY A1142
GLY A1143
SER A1221
VAL A1254
LEU A1255
ILE A1359
LEU A1363
PHE A1426
HIS A1468
 WW2  A 193 ( 4.9A)
WW2  A 193 (-3.4A)
WW2  A 193 (-3.4A)
WW2  A 193 (-1.4A)
None
None
WW2  A 193 ( 4.3A)
WW2  A 193 (-3.8A)
None
None
 0.51A 1mx1D-3k9bA:
62.0		 1mx1D-3k9bA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MX1_E_THAE5_1
(LIVER
CARBOXYLESTERASE I)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		5 / 12 GLY A1143
SER A1221
MET A1364
PHE A1426
HIS A1468
 WW2  A 193 (-3.4A)
WW2  A 193 (-1.4A)
None
None
None
 0.91A 1mx1E-3k9bA:
62.0		 1mx1E-3k9bA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MX1_E_THAE5_1
(LIVER
CARBOXYLESTERASE I)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		10 / 12 LEU A1097
GLY A1142
VAL A1146
SER A1221
VAL A1254
MET A1364
LEU A1388
MET A1425
PHE A1426
HIS A1468
 WW2  A 193 ( 4.9A)
WW2  A 193 (-3.4A)
None
WW2  A 193 (-1.4A)
None
None
None
None
None
None
 0.47A 1mx1E-3k9bA:
62.0		 1mx1E-3k9bA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MX1_F_THAF6_1
(LIVER
CARBOXYLESTERASE I)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		10 / 12 GLY A1142
GLY A1143
SER A1221
VAL A1254
LEU A1255
LEU A1363
MET A1364
MET A1425
PHE A1426
HIS A1468
 WW2  A 193 (-3.4A)
WW2  A 193 (-3.4A)
WW2  A 193 (-1.4A)
None
None
WW2  A 193 (-3.8A)
None
None
None
None
 0.52A 1mx1F-3k9bA:
62.0		 1mx1F-3k9bA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PN0_C_IPHC6032_0
(PHENOL
2-MONOOXYGENASE)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		5 / 10 GLY A1224
VAL A1227
ILE A1139
TYR A1170
GLY A1141
 None
None
None
None
WW2  A 193 (-3.8A)
 1.39A 1pn0C-3k9bA:
undetectable		 1pn0C-3k9bA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PN0_D_IPHD6042_0
(PHENOL
2-MONOOXYGENASE)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		5 / 10 GLY A1224
VAL A1227
ILE A1139
TYR A1170
GLY A1141
 None
None
None
None
WW2  A 193 (-3.8A)
 1.38A 1pn0D-3k9bA:
undetectable		 1pn0D-3k9bA:
21.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1QTI_A_GNTA600_1
(ACETYLCHOLINESTERASE)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		6 / 12 GLY A1141
GLY A1142
GLY A1143
GLU A1220
SER A1221
HIS A1468
 WW2  A 193 (-3.8A)
WW2  A 193 (-3.4A)
WW2  A 193 (-3.4A)
WW2  A 193 ( 4.2A)
WW2  A 193 (-1.4A)
None
 0.51A 1qtiA-3k9bA:
51.1		 1qtiA-3k9bA:
37.06
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.
1RUK_H_BEZH601_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		4 / 8 ALA A1093
LEU A1097
GLY A1147
GLY A1143
 None
WW2  A 193 ( 4.9A)
None
WW2  A 193 (-3.4A)
 0.77A 1rukH-3k9bA:
undetectable
1rukL-3k9bA:
undetectable		 1rukH-3k9bA:
17.61
1rukL-3k9bA:
18.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		5 / 12 GLY A1141
GLY A1142
GLY A1143
SER A1221
HIS A1468
 WW2  A 193 (-3.8A)
WW2  A 193 (-3.4A)
WW2  A 193 (-3.4A)
WW2  A 193 (-1.4A)
None
 0.41A 1w6rA-3k9bA:
52.4		 1w6rA-3k9bA:
37.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1W76_A_GNTA1538_1
(ACETYLCHOLINESTERASE)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		5 / 11 GLY A1142
GLY A1143
GLU A1220
SER A1221
HIS A1468
 WW2  A 193 (-3.4A)
WW2  A 193 (-3.4A)
WW2  A 193 ( 4.2A)
WW2  A 193 (-1.4A)
None
 0.47A 1w76A-3k9bA:
52.3		 1w76A-3k9bA:
37.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1W76_B_GNTB1538_1
(ACETYLCHOLINESTERASE)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		5 / 10 GLY A1141
GLY A1142
GLU A1220
SER A1221
HIS A1468
 WW2  A 193 (-3.8A)
WW2  A 193 (-3.4A)
WW2  A 193 ( 4.2A)
WW2  A 193 (-1.4A)
None
 0.50A 1w76B-3k9bA:
51.9		 1w76B-3k9bA:
37.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YA4_A_CTXA1_1
(CES1 PROTEIN)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		6 / 12 ALA A1093
GLY A1142
SER A1221
LEU A1363
MET A1364
HIS A1468
 None
WW2  A 193 (-3.4A)
WW2  A 193 (-1.4A)
WW2  A 193 (-3.8A)
None
None
 1.04A 1ya4A-3k9bA:
69.0		 1ya4A-3k9bA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YA4_A_CTXA1_1
(CES1 PROTEIN)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		9 / 12 ALA A1093
PHE A1101
GLY A1142
GLY A1143
SER A1221
LEU A1363
MET A1364
LEU A1388
HIS A1468
 None
None
WW2  A 193 (-3.4A)
WW2  A 193 (-3.4A)
WW2  A 193 (-1.4A)
WW2  A 193 (-3.8A)
None
None
None
 0.38A 1ya4A-3k9bA:
69.0		 1ya4A-3k9bA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YA4_B_CTXB2_1
(CES1 PROTEIN)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		9 / 12 PHE A1101
GLY A1142
GLY A1143
SER A1221
VAL A1254
LEU A1358
MET A1364
LEU A1388
HIS A1468
 None
WW2  A 193 (-3.4A)
WW2  A 193 (-3.4A)
WW2  A 193 (-1.4A)
None
None
None
None
None
 0.45A 1ya4B-3k9bA:
61.7		 1ya4B-3k9bA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YA4_C_CTXC3_1
(CES1 PROTEIN)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		9 / 12 PHE A1101
GLY A1142
GLY A1143
SER A1221
VAL A1254
LEU A1358
MET A1364
LEU A1388
HIS A1468
 None
WW2  A 193 (-3.4A)
WW2  A 193 (-3.4A)
WW2  A 193 (-1.4A)
None
None
None
None
None
 0.46A 1ya4C-3k9bA:
61.6		 1ya4C-3k9bA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YA4_C_CTXC3_1
(CES1 PROTEIN)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		6 / 12 PHE A1101
SER A1221
SER A1365
MET A1364
LEU A1388
HIS A1468
 None
WW2  A 193 (-1.4A)
None
None
None
None
 1.43A 1ya4C-3k9bA:
61.6		 1ya4C-3k9bA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YAJ_F_BEZF5023_0
(CES1 PROTEIN)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		4 / 6 GLY A1143
SER A1221
ILE A1359
HIS A1468
 WW2  A 193 (-3.4A)
WW2  A 193 (-1.4A)
WW2  A 193 ( 4.3A)
None
 0.84A 1yajF-3k9bA:
60.9		 1yajF-3k9bA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YAJ_F_BEZF5023_0
(CES1 PROTEIN)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		5 / 6 LEU A1097
GLY A1142
SER A1221
ILE A1359
HIS A1468
 WW2  A 193 ( 4.9A)
WW2  A 193 (-3.4A)
WW2  A 193 (-1.4A)
WW2  A 193 ( 4.3A)
None
 0.37A 1yajF-3k9bA:
60.9		 1yajF-3k9bA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YAJ_G_BEZG3385_0
(CES1 PROTEIN)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		3 / 3 SER A1221
VAL A1254
LEU A1255
 WW2  A 193 (-1.4A)
None
None
 0.32A 1yajG-3k9bA:
64.6		 1yajG-3k9bA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YAJ_J_BEZJ5041_0
(CES1 PROTEIN)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		4 / 4 GLY A1142
SER A1221
ILE A1359
HIS A1468
 WW2  A 193 (-3.4A)
WW2  A 193 (-1.4A)
WW2  A 193 ( 4.3A)
None
 0.34A 1yajJ-3k9bA:
60.9		 1yajJ-3k9bA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YAJ_J_BEZJ5041_0
(CES1 PROTEIN)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		4 / 4 GLY A1143
SER A1221
ILE A1359
HIS A1468
 WW2  A 193 (-3.4A)
WW2  A 193 (-1.4A)
WW2  A 193 ( 4.3A)
None
 0.76A 1yajJ-3k9bA:
60.9		 1yajJ-3k9bA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ACE_A_ACHA998_0
(ACETYLCHOLINESTERASE)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		5 / 9 GLY A1141
GLY A1142
SER A1221
ALA A1222
HIS A1468
 WW2  A 193 (-3.8A)
WW2  A 193 (-3.4A)
WW2  A 193 (-1.4A)
WW2  A 193 (-2.9A)
None
 0.82A 2aceA-3k9bA:
53.5		 2aceA-3k9bA:
37.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ACE_A_ACHA998_0
(ACETYLCHOLINESTERASE)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		5 / 9 GLY A1142
GLY A1143
SER A1221
ALA A1222
HIS A1468
 WW2  A 193 (-3.4A)
WW2  A 193 (-3.4A)
WW2  A 193 (-1.4A)
WW2  A 193 (-2.9A)
None
 0.45A 2aceA-3k9bA:
53.5		 2aceA-3k9bA:
37.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		4 / 7 GLY A1142
GLU A1220
SER A1221
HIS A1468
 WW2  A 193 (-3.4A)
WW2  A 193 ( 4.2A)
WW2  A 193 (-1.4A)
None
 0.70A 2ackA-3k9bA:
52.6		 2ackA-3k9bA:
37.06
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.
2B25_A_SAMA601_0
(HYPOTHETICAL PROTEIN)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		5 / 12 GLY A1248
GLY A1224
GLY A1141
VAL A1348
ILE A1350
 None
None
WW2  A 193 (-3.8A)
None
None
 1.06A 2b25A-3k9bA:
undetectable		 2b25A-3k9bA:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BM9_B_SAMB301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		5 / 12 LEU A1363
GLU A1220
GLY A1469
SER A1221
ASP A1467
 WW2  A 193 (-3.8A)
WW2  A 193 ( 4.2A)
None
WW2  A 193 (-1.4A)
None
 1.27A 2bm9B-3k9bA:
undetectable		 2bm9B-3k9bA:
18.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HA4_A_ACHA546_0
(ACETYLCHOLINESTERASE)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		4 / 8 TYR A1152
GLU A1220
HIS A1468
GLY A1469
 None
WW2  A 193 ( 4.2A)
None
None
 0.40A 2ha4A-3k9bA:
46.7		 2ha4A-3k9bA:
35.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HA4_A_ACTA544_0
(ACETYLCHOLINESTERASE)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		4 / 8 GLY A1142
GLY A1143
ALA A1222
HIS A1468
 WW2  A 193 (-3.4A)
WW2  A 193 (-3.4A)
WW2  A 193 (-2.9A)
None
 0.29A 2ha4A-3k9bA:
46.7		 2ha4A-3k9bA:
35.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HA4_B_ACHB603_0
(ACETYLCHOLINESTERASE)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		4 / 7 TYR A1152
GLU A1220
HIS A1468
GLY A1469
 None
WW2  A 193 ( 4.2A)
None
None
 0.34A 2ha4B-3k9bA:
52.1		 2ha4B-3k9bA:
35.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HA4_B_ACTB601_0
(ACETYLCHOLINESTERASE)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		4 / 7 GLY A1141
GLY A1142
ALA A1222
HIS A1468
 WW2  A 193 (-3.8A)
WW2  A 193 (-3.4A)
WW2  A 193 (-2.9A)
None
 0.68A 2ha4B-3k9bA:
52.1		 2ha4B-3k9bA:
35.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HA4_B_ACTB601_0
(ACETYLCHOLINESTERASE)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		4 / 7 GLY A1142
GLY A1143
ALA A1222
HIS A1468
 WW2  A 193 (-3.4A)
WW2  A 193 (-3.4A)
WW2  A 193 (-2.9A)
None
 0.29A 2ha4B-3k9bA:
52.1		 2ha4B-3k9bA:
35.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OGY_A_C2FA3000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		5 / 12 GLU A1220
PHE A1101
ILE A1217
LEU A1230
GLY A1224
 WW2  A 193 ( 4.2A)
None
None
None
None
 1.32A 2ogyA-3k9bA:
2.1		 2ogyA-3k9bA:
18.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OXT_B_SAMB300_0
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		5 / 12 GLY A1190
GLY A1143
GLY A1173
LEU A1097
HIS A1468
 None
WW2  A 193 (-3.4A)
None
WW2  A 193 ( 4.9A)
None
 0.81A 2oxtB-3k9bA:
undetectable		 2oxtB-3k9bA:
19.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BXO_A_SAMA238_1
(N,N-DIMETHYLTRANSFER
ASE)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		3 / 3 TYR A1170
GLU A1220
ASP A1467
 None
WW2  A 193 ( 4.2A)
None
 0.77A 3bxoA-3k9bA:
undetectable		 3bxoA-3k9bA:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BXO_A_SAMA238_1
(N,N-DIMETHYLTRANSFER
ASE)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		3 / 3 TYR A1170
GLU A1220
ASP A1470
 None
WW2  A 193 ( 4.2A)
None
 0.79A 3bxoA-3k9bA:
undetectable		 3bxoA-3k9bA:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BXO_B_SAMB238_1
(N,N-DIMETHYLTRANSFER
ASE)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		3 / 3 TYR A1170
GLU A1220
ASP A1467
 None
WW2  A 193 ( 4.2A)
None
 0.84A 3bxoB-3k9bA:
undetectable		 3bxoB-3k9bA:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BXO_B_SAMB238_1
(N,N-DIMETHYLTRANSFER
ASE)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		3 / 3 TYR A1170
GLU A1220
ASP A1470
 None
WW2  A 193 ( 4.2A)
None
 0.78A 3bxoB-3k9bA:
undetectable		 3bxoB-3k9bA:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KU1_A_SAMA226_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		5 / 12 LEU A1472
GLY A1224
VAL A1229
GLY A1141
LEU A1144
 None
None
None
WW2  A 193 (-3.8A)
None
 0.95A 3ku1A-3k9bA:
2.9		 3ku1A-3k9bA:
19.14
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.
3KU1_C_SAMC226_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		5 / 12 LEU A1472
GLY A1224
VAL A1229
GLY A1141
LEU A1144
 None
None
None
WW2  A 193 (-3.8A)
None
 0.95A 3ku1C-3k9bA:
2.8		 3ku1C-3k9bA:
19.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3O9M_A_BEZA999_0
(CHOLINESTERASE)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		5 / 7 GLY A1141
GLY A1142
SER A1221
LEU A1363
HIS A1468
 WW2  A 193 (-3.8A)
WW2  A 193 (-3.4A)
WW2  A 193 (-1.4A)
WW2  A 193 (-3.8A)
None
 1.18A 3o9mA-3k9bA:
53.3		 3o9mA-3k9bA:
36.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3O9M_A_BEZA999_0
(CHOLINESTERASE)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		5 / 7 GLY A1142
GLY A1143
SER A1221
PHE A1426
HIS A1468
 WW2  A 193 (-3.4A)
WW2  A 193 (-3.4A)
WW2  A 193 (-1.4A)
None
None
 0.74A 3o9mA-3k9bA:
53.3		 3o9mA-3k9bA:
36.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3O9M_B_BEZB999_0
(CHOLINESTERASE)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		5 / 6 GLY A1141
GLY A1142
SER A1221
LEU A1363
HIS A1468
 WW2  A 193 (-3.8A)
WW2  A 193 (-3.4A)
WW2  A 193 (-1.4A)
WW2  A 193 (-3.8A)
None
 1.17A 3o9mB-3k9bA:
53.3		 3o9mB-3k9bA:
36.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3O9M_B_BEZB999_0
(CHOLINESTERASE)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		4 / 6 GLY A1142
GLY A1143
SER A1221
HIS A1468
 WW2  A 193 (-3.4A)
WW2  A 193 (-3.4A)
WW2  A 193 (-1.4A)
None
 0.42A 3o9mB-3k9bA:
53.3		 3o9mB-3k9bA:
36.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EY6_A_GNTA604_1
(ACETYLCHOLINESTERASE)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		5 / 12 GLY A1141
GLY A1142
GLY A1143
SER A1221
HIS A1468
 WW2  A 193 (-3.8A)
WW2  A 193 (-3.4A)
WW2  A 193 (-3.4A)
WW2  A 193 (-1.4A)
None
 0.39A 4ey6A-3k9bA:
51.7		 4ey6A-3k9bA:
36.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EY6_B_GNTB605_1
(ACETYLCHOLINESTERASE)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		6 / 12 GLY A1141
GLY A1142
GLY A1143
GLU A1220
SER A1221
HIS A1468
 WW2  A 193 (-3.8A)
WW2  A 193 (-3.4A)
WW2  A 193 (-3.4A)
WW2  A 193 ( 4.2A)
WW2  A 193 (-1.4A)
None
 0.53A 4ey6B-3k9bA:
45.5		 4ey6B-3k9bA:
36.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EY7_A_E20A604_1
(ACETYLCHOLINESTERASE)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		5 / 11 GLY A1141
GLU A1220
SER A1221
HIS A1468
GLY A1469
 WW2  A 193 (-3.8A)
WW2  A 193 ( 4.2A)
WW2  A 193 (-1.4A)
None
None
 1.13A 4ey7A-3k9bA:
51.6		 4ey7A-3k9bA:
36.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EY7_A_E20A604_1
(ACETYLCHOLINESTERASE)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		5 / 11 GLY A1142
GLU A1220
SER A1221
HIS A1468
GLY A1469
 WW2  A 193 (-3.4A)
WW2  A 193 ( 4.2A)
WW2  A 193 (-1.4A)
None
None
 0.66A 4ey7A-3k9bA:
51.6		 4ey7A-3k9bA:
36.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EY7_B_E20B605_1
(ACETYLCHOLINESTERASE)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		5 / 11 GLY A1141
GLU A1220
SER A1221
HIS A1468
GLY A1469
 WW2  A 193 (-3.8A)
WW2  A 193 ( 4.2A)
WW2  A 193 (-1.4A)
None
None
 1.14A 4ey7B-3k9bA:
46.7		 4ey7B-3k9bA:
36.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EY7_B_E20B605_1
(ACETYLCHOLINESTERASE)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		5 / 11 GLY A1142
GLU A1220
SER A1221
HIS A1468
GLY A1469
 WW2  A 193 (-3.4A)
WW2  A 193 ( 4.2A)
WW2  A 193 (-1.4A)
None
None
 0.69A 4ey7B-3k9bA:
46.7		 4ey7B-3k9bA:
36.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XLD_A_BRLA502_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		5 / 12 PHE A1101
GLY A1147
LEU A1255
HIS A1468
LEU A1363
 None
None
None
None
WW2  A 193 (-3.8A)
 1.40A 4xldA-3k9bA:
undetectable		 4xldA-3k9bA:
19.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KQS_A_SAMA307_0
(GENOME POLYPROTEIN)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		5 / 12 GLY A1248
GLY A1143
GLY A1141
GLY A1224
ASP A1090
 None
WW2  A 193 (-3.4A)
WW2  A 193 (-3.8A)
None
None
 0.89A 5kqsA-3k9bA:
undetectable		 5kqsA-3k9bA:
20.08
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.
5M5B_A_SAMA1001_0
(NS5
METHYLTRANSFERASE)		 3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens) 		5 / 12 GLY A1248
GLY A1143
GLY A1141
GLY A1224
ASP A1090
 None
WW2  A 193 (-3.4A)
WW2  A 193 (-3.8A)
None
None
 0.89A 5m5bA-3k9bA:
undetectable		 5m5bA-3k9bA:
19.81