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Receptor
PDB id Resolution Class Description Source Keywords
1GT6 2.2 Å EC: 3.1.1.3 S146A MUTANT OF THERMOMYCES (HUMICOLA) LANUGINOSA LIPASE COM OLEIC ACID THERMOMYCES LANUGINOSUS LIPASE HYDROLASE LIPID DEGRADATION ZYMOGEN
Ref.: BINDING OF THERMOMYCES (HUMICOLA) LANUGINOSA LIPASE 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 COM OLEIC ACID THERMOMYCES LANUGINOSUS LIPASE HYDROLASE LIPID DEGRADATION ZYMOGEN
Ref.: BINDING OF THERMOMYCES (HUMICOLA) LANUGINOSA LIPASE 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: 56
No: Ligand ECFP6 Tc MDL keys Tc
1 OLA 1 1
2 NER 1 1
3 ELA 1 1
4 VCA 0.939394 1
5 PAM 0.939394 1
6 MYZ 0.852941 0.954545
7 EIC 0.725 0.956522
8 DCR 0.71875 0.954545
9 F15 0.71875 0.954545
10 EW8 0.71875 0.954545
11 X90 0.71875 0.954545
12 TDA 0.71875 0.954545
13 DKA 0.71875 0.954545
14 STE 0.71875 0.954545
15 MYR 0.71875 0.954545
16 11A 0.71875 0.954545
17 DAO 0.71875 0.954545
18 KNA 0.71875 0.954545
19 PLM 0.71875 0.954545
20 F23 0.71875 0.954545
21 OCA 0.6875 0.954545
22 ODD 0.675 0.956522
23 RCL 0.625 0.88
24 LNL 0.613636 0.869565
25 SHV 0.606061 0.909091
26 KTC 0.605263 0.84
27 3X1 0.564103 0.863636
28 ODT 0.555556 0.826087
29 T25 0.54717 0.709677
30 AZ1 0.53125 0.615385
31 10X 0.529412 0.645161
32 10Y 0.529412 0.645161
33 6NA 0.529412 0.863636
34 OLB 0.519231 0.617647
35 OLC 0.519231 0.617647
36 243 0.519231 0.846154
37 MVC 0.490566 0.617647
38 ACD 0.488889 0.956522
39 VA 0.478261 0.692308
40 3LA 0.47619 0.769231
41 78M 0.471698 0.617647
42 78N 0.471698 0.617647
43 EOD 0.468085 0.677419
44 MPG 0.45283 0.617647
45 14V 0.444444 0.714286
46 LEA 0.441176 0.772727
47 T24 0.438596 0.769231
48 BRC 0.435897 0.64
49 14U 0.431818 0.678571
50 M12 0.428571 0.833333
51 UNA 0.421053 0.636364
52 OCD 0.421053 0.636364
53 8YP 0.421053 0.636364
54 D0G 0.4 0.913043
55 BNV 0.4 0.913043
56 BMJ 0.4 0.913043
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1GT6; Ligand: OLA; Similar sites found with APoc: 52
This union binding pocket(no: 1) in the query (biounit: 1gt6.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 4KPM BEN None
2 4G9E C4L 1.85874
3 1A8U BEZ 2.23048
4 5AOA PPI 2.60223
5 4S00 AKR 2.60223
6 5XH2 NPO 2.67176
7 5CXX FER 2.97398
8 6IKG MET ALA ALA 2.97398
9 2WKW W22 2.97398
10 3BF8 MLA 3.13725
11 1XRO LEU 3.34572
12 2RHW C0E 3.34572
13 5ECP MET 3.34572
14 5ECP ATP 3.34572
15 2G2Y MLI 3.71747
16 4ZXF 4S7 3.71747
17 5JIB OIA 3.71747
18 2D81 RB3 3.71747
19 5EO8 TFU 3.71747
20 1Y7I SAL 3.73134
21 4MYD 164 3.96825
22 2WTN FER 3.98406
23 6AM8 PLT 4.08922
24 6AMI TRP 4.08922
25 6EOP SER LEU ARG PHE LEU TYR GLU GLY 4.08922
26 4TXJ THM 4.08922
27 1JT2 FER 4.10448
28 1IUP ALQ 4.46097
29 2ZL4 ALA ALA ALA ALA 4.59184
30 4OB6 S2T 4.83271
31 4LXH C1E 4.83271
32 5HC0 NPO 5.20446
33 3IVM ZPR 5.57621
34 1WM1 PTB 5.94796
35 2HU5 GLY PHE 5.94796
36 1OFZ FUL 5.94796
37 1OFZ FUC 5.94796
38 1RWQ 5AP 6.3197
39 3HSS MLA 6.69145
40 4J7U YTZ 6.94444
41 4J7U NAP 6.94444
42 2OCI TYC 7.08661
43 1CX9 NHP 7.08955
44 4JUI EGR 8.17844
45 3QM1 ZYC 8.30189
46 1WHT BZS 8.49673
47 5ZRR 9J3 8.67924
48 1A8S PPI 8.92193
49 5ZUN 9JX 9.29368
50 4CIB 7UZ 13.3829
51 2WUF KEM 14.1264
52 1EWF PC1 24.1636
Pocket No.: 2; Query (leader) PDB : 1GT6; Ligand: OLA; Similar sites found with APoc: 21
This union binding pocket(no: 2) in the query (biounit: 1gt6.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 3QVV A3P 1.85874
2 2KCE D16 1.89394
3 3W68 VIV 2.63158
4 4QDI UDP 3.71747
5 1PI5 SM2 3.71747
6 4D52 GXL 3.71747
7 3VZS CAA 3.89105
8 1WB4 SXX 4.08922
9 3BEJ MUF 4.20168
10 1G3M A3P 4.46097
11 1G3M PCQ 4.46097
12 4WHZ 3NL 5.20446
13 4I4Z 2NE 5.57621
14 4WQQ MAN 5.67376
15 2BUC 008 5.94796
16 4CCN OGA 5.94796
17 3HRD NIO 6.69145
18 4DC2 ADE 7.80669
19 1KJ8 GAR 8.17844
20 4B7P 9UN 8.69565
21 1XXR MAN 19.2547
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