SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3k9b'

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
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.
1AV2_C_DVAC6_0
(GRAMICIDIN A)
3k9b LIVER
CARBOXYLESTERASE 1

(Homo
sapiens)
3 / 3 ALA A1422
VAL A1424
TRP A1547
None
0.81A 1av2C-3k9bA:
undetectable
1av2D-3k9bA:
undetectable
1av2C-3k9bA:
5.88
1av2D-3k9bA:
5.88
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
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.
1CBS_A_REAA200_1
(CELLULAR RETINOIC
ACID BINDING PROTEIN
TYPE II)
3k9b LIVER
CARBOXYLESTERASE 1

(Homo
sapiens)
5 / 12 PHE A1178
LEU A1286
ILE A1270
ALA A1269
ALA A1265
None
1.04A 1cbsA-3k9bA:
undetectable
1cbsA-3k9bA:
15.80
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_D_THAD4_2
(LIVER
CARBOXYLESTERASE I)
3k9b LIVER
CARBOXYLESTERASE 1

(Homo
sapiens)
3 / 3 PHE A1101
LEU A1358
MET A1364
None
0.23A 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
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.
1W5U_C_DVAC6_0
(GRAMICIDIN D)
3k9b LIVER
CARBOXYLESTERASE 1

(Homo
sapiens)
3 / 3 ALA A1422
VAL A1424
TRP A1547
None
0.75A 1w5uC-3k9bA:
undetectable
1w5uD-3k9bA:
undetectable
1w5uC-3k9bA:
5.88
1w5uD-3k9bA:
5.88
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
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.
1XVA_A_ACTA294_0
(GLYCINE
N-METHYLTRANSFERASE)
3k9b LIVER
CARBOXYLESTERASE 1

(Homo
sapiens)
4 / 5 TRP A1500
ILE A1244
LEU A1157
ALA A1501
None
0.96A 1xvaA-3k9bA:
2.4
1xvaB-3k9bA:
2.4
1xvaA-3k9bA:
20.68
1xvaB-3k9bA:
20.68
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.
1XVA_B_ACTB294_0
(GLYCINE
N-METHYLTRANSFERASE)
3k9b LIVER
CARBOXYLESTERASE 1

(Homo
sapiens)
4 / 6 ALA A1501
TRP A1500
ILE A1244
LEU A1157
None
1.04A 1xvaA-3k9bA:
2.4
1xvaB-3k9bA:
2.5
1xvaA-3k9bA:
20.68
1xvaB-3k9bA:
20.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YA4_A_CTXA11_1
(CES1 PROTEIN)
3k9b LIVER
CARBOXYLESTERASE 1

(Homo
sapiens)
4 / 8 PRO A1360
MET A1361
LEU A1368
LEU A1418
None
0.80A 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_CTXA11_1
(CES1 PROTEIN)
3k9b LIVER
CARBOXYLESTERASE 1

(Homo
sapiens)
5 / 8 TRP A1357
PRO A1360
LEU A1368
LEU A1418
PRO A1461
None
0.57A 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)
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_CTXB1283_1
(CES1 PROTEIN)
3k9b LIVER
CARBOXYLESTERASE 1

(Homo
sapiens)
5 / 7 TRP A1357
PRO A1360
LEU A1368
LEU A1418
PRO A1461
None
0.53A 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_B_CTXB1283_1
(CES1 PROTEIN)
3k9b LIVER
CARBOXYLESTERASE 1

(Homo
sapiens)
5 / 7 TRP A1357
PRO A1360
LYS A1414
LEU A1418
PRO A1461
None
1.37A 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_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.
1YAJ_K_BEZK4387_0
(CES1 PROTEIN)
3k9b LIVER
CARBOXYLESTERASE 1

(Homo
sapiens)
3 / 3 TRP A1357
LEU A1418
LYS A1414
None
1.24A 1yajK-3k9bA:
61.0
1yajK-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.
1ZWP_A_NIMA401_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)
3k9b LIVER
CARBOXYLESTERASE 1

(Homo
sapiens)
4 / 5 LEU A1144
GLY A1176
TRP A1189
ASP A1193
None
1.43A 1zwpA-3k9bA:
0.0
1zwpA-3k9bA:
11.73
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 GLU A1354
SER A1247
PHE A1101
HIS A1468
None
1.10A 2ackA-3k9bA:
52.6
2ackA-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.
2DQY_C_CHDC3_0
(LIVER
CARBOXYLESTERASE 1)
3k9b LIVER
CARBOXYLESTERASE 1

(Homo
sapiens)
5 / 6 TRP A1357
LEU A1368
LEU A1418
PRO A1461
VAL A1464
None
0.42A 2dqyC-3k9bA:
61.6
2dqyC-3k9bA:
100.00
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.
2IZQ_B_DVAB6_0
(GRAMICIDIN D)
3k9b LIVER
CARBOXYLESTERASE 1

(Homo
sapiens)
3 / 3 TRP A1547
ALA A1422
VAL A1424
None
0.77A 2izqA-3k9bA:
undetectable
2izqB-3k9bA:
undetectable
2izqA-3k9bA:
5.88
2izqB-3k9bA:
5.88
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.
2PYN_A_1UNA1001_3
(PROTEASE RETROPEPSIN)
3k9b LIVER
CARBOXYLESTERASE 1

(Homo
sapiens)
3 / 3 ASP A1260
THR A1331
PRO A1332
None
0.58A 2pynB-3k9bA:
undetectable
2pynB-3k9bA:
11.20
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.
2Q64_B_1UNB1001_4
(PROTEASE RETROPEPSIN)
3k9b LIVER
CARBOXYLESTERASE 1

(Homo
sapiens)
3 / 3 ASP A1260
THR A1331
PRO A1332
None
0.64A 2q64B-3k9bA:
undetectable
2q64B-3k9bA:
11.20
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.
2QAK_A_1UNA1001_4
(PROTEASE RETROPEPSIN)
3k9b LIVER
CARBOXYLESTERASE 1

(Homo
sapiens)
3 / 3 ASP A1260
THR A1331
PRO A1332
None
0.58A 2qakB-3k9bA:
undetectable
2qakB-3k9bA:
11.20
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.
2V0M_A_KLNA1500_1
(CYTOCHROME P450 3A4)
3k9b LIVER
CARBOXYLESTERASE 1

(Homo
sapiens)
5 / 11 LEU A1117
ILE A1168
ALA A1149
GLU A1225
LEU A1172
None
1.33A 2v0mA-3k9bA:
undetectable
2v0mA-3k9bA:
25.08
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.
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.
3DL9_B_V2HB602_0
(CYTOCHROME P450 2R1)
3k9b LIVER
CARBOXYLESTERASE 1

(Homo
sapiens)
5 / 12 THR A1321
VAL A1231
ALA A1236
GLU A1225
ILE A1139
None
1.07A 3dl9B-3k9bA:
undetectable
3dl9B-3k9bA:
22.14
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.
3H52_B_486B1_1
(GLUCOCORTICOID
RECEPTOR)
3k9b LIVER
CARBOXYLESTERASE 1

(Homo
sapiens)
5 / 10 ASN A1351
TRP A1500
GLN A1528
LEU A1527
TYR A1526
None
1.31A 3h52B-3k9bA:
0.0
3h52B-3k9bA:
21.61
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.
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
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.
3L8L_A_DVAA6_0
(GRAMICIDIN D)
3k9b LIVER
CARBOXYLESTERASE 1

(Homo
sapiens)
3 / 3 ALA A1422
VAL A1424
TRP A1547
None
0.75A 3l8lA-3k9bA:
undetectable
3l8lB-3k9bA:
undetectable
3l8lA-3k9bA:
5.88
3l8lB-3k9bA:
3.48
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.
3L8L_C_DVAC6_0
(GRAMICIDIN D)
3k9b LIVER
CARBOXYLESTERASE 1

(Homo
sapiens)
3 / 3 ALA A1422
VAL A1424
TRP A1547
None
0.67A 3l8lC-3k9bA:
undetectable
3l8lD-3k9bA:
undetectable
3l8lC-3k9bA:
5.88
3l8lD-3k9bA:
3.48
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
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.
3PS9_A_SAMA670_1
(TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC)
3k9b LIVER
CARBOXYLESTERASE 1

(Homo
sapiens)
4 / 6 GLY A1469
LEU A1100
GLU A1471
ASP A1467
None
0.96A 3ps9A-3k9bA:
undetectable
3ps9A-3k9bA:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SU9_A_ACTA426_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)
3k9b LIVER
CARBOXYLESTERASE 1

(Homo
sapiens)
3 / 3 GLN A1069
GLU A1072
LYS A1057
None
1.08A 3su9A-3k9bA:
undetectable
3su9A-3k9bA:
23.27
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.
3TKG_C_ROCC901_3
(PROTEASE)
3k9b LIVER
CARBOXYLESTERASE 1

(Homo
sapiens)
3 / 3 ASP A1260
THR A1331
PRO A1332
None
0.65A 3tkgD-3k9bA:
undetectable
3tkgD-3k9bA:
11.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AC9_C_DXCC1478_0
(MJ0495-LIKE PROTEIN)
3k9b LIVER
CARBOXYLESTERASE 1

(Homo
sapiens)
4 / 7 SER A1179
GLY A1320
THR A1321
SER A1185
None
0.77A 4ac9C-3k9bA:
2.7
4ac9C-3k9bA:
20.53
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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
3k9b LIVER
CARBOXYLESTERASE 1

(Homo
sapiens)
5 / 12 GLY A1209
GLY A1210
VAL A1047
PHE A1050
ILE A1121
None
1.26A 4fglA-3k9bA:
2.5
4fglB-3k9bA:
2.4
4fglA-3k9bA:
19.96
4fglB-3k9bA:
19.96
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.
4PTJ_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)
3k9b LIVER
CARBOXYLESTERASE 1

(Homo
sapiens)
3 / 3 ASP A1260
LYS A1257
LEU A1319
None
1.05A 4ptjA-3k9bA:
1.4
4ptjA-3k9bA:
14.69
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.
4TWD_C_377C401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)
3k9b LIVER
CARBOXYLESTERASE 1

(Homo
sapiens)
4 / 6 TYR A1152
ASN A1103
GLU A1246
LEU A1157
None
1.01A 4twdB-3k9bA:
undetectable
4twdC-3k9bA:
undetectable
4twdB-3k9bA:
19.89
4twdC-3k9bA:
19.89
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.
4TWD_E_377E401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)
3k9b LIVER
CARBOXYLESTERASE 1

(Homo
sapiens)
4 / 6 TYR A1152
ASN A1103
GLU A1246
LEU A1157
None
0.98A 4twdD-3k9bA:
undetectable
4twdE-3k9bA:
undetectable
4twdD-3k9bA:
19.89
4twdE-3k9bA:
19.89
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.
4TWD_J_377J401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)
3k9b LIVER
CARBOXYLESTERASE 1

(Homo
sapiens)
4 / 6 TYR A1152
ASN A1103
GLU A1246
LEU A1157
None
0.93A 4twdI-3k9bA:
undetectable
4twdJ-3k9bA:
undetectable
4twdI-3k9bA:
19.89
4twdJ-3k9bA:
19.89
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)
3k9b LIVER
CARBOXYLESTERASE 1

(Homo
sapiens)
5 / 11 LEU A1230
GLY A1223
GLU A1225
ALA A1243
SER A1245
None
1.12A 4wnuC-3k9bA:
undetectable
4wnuC-3k9bA:
22.89
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.
4ZJQ_D_ERYD1101_0
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)
3k9b LIVER
CARBOXYLESTERASE 1

(Homo
sapiens)
5 / 12 THR A1321
SER A1228
MET A1446
ILE A1350
GLU A1333
None
1.45A 4zjqD-3k9bA:
undetectable
4zjqD-3k9bA:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HBS_A_RTLA201_1
(RETINOL-BINDING
PROTEIN 1)
3k9b LIVER
CARBOXYLESTERASE 1

(Homo
sapiens)
4 / 8 LEU A1110
LEU A1051
THR A1167
TYR A1152
None
1.03A 5hbsA-3k9bA:
undetectable
5hbsA-3k9bA:
13.09
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.
5JGL_B_SAMB301_1
(UBIE/COQ5 FAMILY
METHYLTRANSFERASE,
PUTATIVE)
3k9b LIVER
CARBOXYLESTERASE 1

(Homo
sapiens)
3 / 3 ASP A1027
ASN A1204
PHE A1076
None
0.76A 5jglB-3k9bA:
undetectable
5jglB-3k9bA:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
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.
5NWV_A_ACAA18_1
(SCRFP-TAG,GP41)
3k9b LIVER
CARBOXYLESTERASE 1

(Homo
sapiens)
5 / 12 SER A1113
LYS A1111
GLU A1296
LEU A1295
GLU A1114
None
1.33A 5nwvA-3k9bA:
undetectable
5nwvA-3k9bA:
7.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIP_A_HFGA1003_1
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)
3k9b LIVER
CARBOXYLESTERASE 1

(Homo
sapiens)
3 / 3 GLU A1471
TRP A1138
HIS A1468
None
1.07A 5xipA-3k9bA:
undetectable
5xipA-3k9bA:
21.83
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.
6JI6_A_ACTA305_0
(GLUTATHIONE
S-TRANSFERASE
CLASS-MU 26 KDA
ISOZYME)
3k9b LIVER
CARBOXYLESTERASE 1

(Homo
sapiens)
4 / 5 GLY A1052
LEU A1051
SER A1150
GLN A1169
None
1.14A 6ji6A-3k9bA:
undetectable
6ji6A-3k9bA:
17.92