Receptor
PDB id Resolution Class Description Source Keywords
1GT6 2.2 Å EC: 3.1.1.3 S146A MUTANT OF THERMOMYCES (HUMICOLA) LANUGINOSA LIPASE COMPLEX WITH OLEIC ACID THERMOMYCES LANUGINOSUS LIPASE HYDROLASE LIPID DEGRADATION ZYMOGEN
Ref.: BINDING OF THERMOMYCES (HUMICOLA) LANUGINOSA LIPASE TO THE MIXED MICELLES OF CIS-PARINARIC ACID/NATDC. EUR.J.BIOCHEM. V. 269 1613 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
OLA A:1270;
B:1270;
Valid;
Valid;
none;
none;
submit data
282.461 C18 H34 O2 CCCCC...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1GT6 2.2 Å EC: 3.1.1.3 S146A MUTANT OF THERMOMYCES (HUMICOLA) LANUGINOSA LIPASE COMPLEX WITH OLEIC ACID THERMOMYCES LANUGINOSUS LIPASE HYDROLASE LIPID DEGRADATION ZYMOGEN
Ref.: BINDING OF THERMOMYCES (HUMICOLA) LANUGINOSA LIPASE TO THE MIXED MICELLES OF CIS-PARINARIC ACID/NATDC. EUR.J.BIOCHEM. V. 269 1613 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1GT6 - OLA C18 H34 O2 CCCCCCCCC=....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1GT6 - OLA C18 H34 O2 CCCCCCCCC=....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1GT6 - OLA C18 H34 O2 CCCCCCCCC=....
2 1UWC - FER C10 H10 O4 COc1cc(ccc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: OLA; Similar ligands found: 51
No: Ligand ECFP6 Tc MDL keys Tc
1 NER 1 1
2 OLA 1 1
3 ELA 1 1
4 PAM 0.939394 1
5 VCA 0.939394 1
6 MYZ 0.852941 0.954545
7 EIC 0.725 0.956522
8 STE 0.71875 0.954545
9 MYR 0.71875 0.954545
10 F23 0.71875 0.954545
11 DAO 0.71875 0.954545
12 11A 0.71875 0.954545
13 TDA 0.71875 0.954545
14 KNA 0.71875 0.954545
15 F15 0.71875 0.954545
16 DKA 0.71875 0.954545
17 DCR 0.71875 0.954545
18 PLM 0.71875 0.954545
19 OCA 0.6875 0.954545
20 ODD 0.675 0.956522
21 RCL 0.625 0.88
22 LNL 0.613636 0.869565
23 SHV 0.606061 0.909091
24 KTC 0.605263 0.84
25 3X1 0.564103 0.863636
26 ODT 0.555556 0.826087
27 T25 0.54717 0.709677
28 AZ1 0.53125 0.615385
29 6NA 0.529412 0.863636
30 10Y 0.529412 0.645161
31 10X 0.529412 0.645161
32 243 0.519231 0.846154
33 OLC 0.519231 0.617647
34 OLB 0.519231 0.617647
35 MVC 0.490566 0.617647
36 ACD 0.488889 0.956522
37 VA 0.478261 0.692308
38 3LA 0.47619 0.769231
39 78N 0.471698 0.617647
40 78M 0.471698 0.617647
41 EOD 0.468085 0.677419
42 MPG 0.45283 0.617647
43 14V 0.444444 0.714286
44 LEA 0.441176 0.772727
45 T24 0.438596 0.769231
46 BRC 0.435897 0.64
47 14U 0.431818 0.678571
48 M12 0.428571 0.833333
49 UNA 0.421053 0.636364
50 8YP 0.421053 0.636364
51 OCD 0.421053 0.636364
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1GT6; Ligand: OLA; Similar sites found: 29
This union binding pocket(no: 1) in the query (biounit: 1gt6.bio2) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4G9E C4L 0.005344 0.41236 1.85874
2 1A8U BEZ 0.0003207 0.4166 2.23048
3 5AOA PPI 0.0003858 0.50421 2.60223
4 4UHF BUA 0.0084 0.40343 2.60223
5 5CXX FER 0.000484 0.45042 2.97398
6 3I28 34N 0.03306 0.40898 2.97398
7 2WKW W22 0.005851 0.40838 2.97398
8 3BF8 MLA 0.01471 0.41274 3.13725
9 1XRO LEU 0.0005394 0.48596 3.34572
10 2RHW C0E 0.01843 0.40507 3.34572
11 5ECP MET 0.03365 0.40366 3.34572
12 5ECP ATP 0.03637 0.40366 3.34572
13 2WTN FER 0.004839 0.42555 3.98406
14 5IXJ THR 0.01618 0.40905 4.08922
15 4TXJ THM 0.02125 0.40329 4.08922
16 1IUP ALQ 0.001168 0.46416 4.46097
17 2ZL4 ALA ALA ALA ALA 0.01144 0.41687 4.59184
18 4OB6 S2T 0.004238 0.41693 4.83271
19 4LXH C1E 0.005904 0.41247 4.83271
20 1WM1 PTB 0.0008321 0.44655 5.94796
21 2HU5 GLY PHE 0.0009751 0.44345 5.94796
22 1RWQ 5AP 0.02347 0.40775 6.3197
23 4J7U NAP 0.02768 0.40968 6.94444
24 4J7U YTZ 0.02768 0.40968 6.94444
25 2OCI TYC 0.014 0.40929 7.08661
26 3QM1 ZYC 0.0007217 0.44217 8.30189
27 1A8S PPI 0.00003553 0.43155 8.92193
28 3PE6 ZYH 0.0003602 0.47853 9.29368
29 1EWF PC1 0.029 0.40601 24.1636
Pocket No.: 2; Query (leader) PDB : 1GT6; Ligand: OLA; Similar sites found: 12
This union binding pocket(no: 2) in the query (biounit: 1gt6.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2KCE D16 0.04085 0.40343 1.89394
2 3F3E LEU 0.04963 0.41986 2.60223
3 3W68 VIV 0.01699 0.40032 2.63158
4 4ZXF 4S7 0.0002282 0.43082 3.71747
5 1PI5 SM2 0.04937 0.40233 3.71747
6 1Y7I SAL 0.003429 0.40299 3.73134
7 1WB4 SXX 0.008756 0.41875 4.08922
8 3BEJ MUF 0.01374 0.40638 4.20168
9 1G3M A3P 0.03919 0.40079 4.46097
10 1G3M PCQ 0.03919 0.40079 4.46097
11 2BUC 008 0.004791 0.41873 5.94796
12 4B7P 9UN 0.04371 0.40434 8.69565
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