Receptor
PDB id Resolution Class Description Source Keywords
2UW1 1.95 Å EC: 1.14.99.6 IVY DESATURASE STRUCTURE HEDERA HELIX ELECTRON TRANSFER OXIDOREDUCTASE LIPID SYNTHESIS FATTY ACBIOSYNTHESIS
Ref.: THE CRYSTAL STRUCTURE OF THE IVY {DELTA}4-16:0-ACP DESATURASE REVEALS STRUCTURAL DETAILS OF THE OXIDIZ ACTIVE SITE AND POTENTIAL DETERMINANTS OF REGIOSELE J.BIOL.CHEM. V. 282 19863 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FE A:1359;
A:1360;
B:1359;
B:1360;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
55.845 Fe [Fe+3...
GVM A:1362;
B:1362;
Valid;
Valid;
none;
none;
submit data
160.211 C8 H16 O3 CC(C)...
NA A:1361;
B:1361;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2UW1 1.95 Å EC: 1.14.99.6 IVY DESATURASE STRUCTURE HEDERA HELIX ELECTRON TRANSFER OXIDOREDUCTASE LIPID SYNTHESIS FATTY ACBIOSYNTHESIS
Ref.: THE CRYSTAL STRUCTURE OF THE IVY {DELTA}4-16:0-ACP DESATURASE REVEALS STRUCTURAL DETAILS OF THE OXIDIZ ACTIVE SITE AND POTENTIAL DETERMINANTS OF REGIOSELE J.BIOL.CHEM. V. 282 19863 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2UW1 - GVM C8 H16 O3 CC(C)(C)C[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2UW1 - GVM C8 H16 O3 CC(C)(C)C[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2UW1 - GVM C8 H16 O3 CC(C)(C)C[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GVM; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 GVM 1 1
2 3HG 0.461538 0.615385
3 3HR 0.444444 0.666667
4 3HL 0.444444 0.666667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2UW1; Ligand: GVM; Similar sites found: 27
This union binding pocket(no: 1) in the query (biounit: 2uw1.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5CX8 TG6 0.01199 0.40216 1.77515
2 4MFZ MFK 0.004789 0.45036 2.07101
3 3CHT 4NB 0.007138 0.40426 2.38095
4 1ZPD CIT 0.01172 0.40664 2.66272
5 4U0S ADP 0.006766 0.42787 2.95858
6 2I0G I0G 0.04849 0.41734 3.11284
7 3L1N PLM 0.005085 0.40059 3.60825
8 1ZDQ MSM 0.007025 0.41441 3.86905
9 3SVJ 4LI 0.02153 0.40857 3.94089
10 4MFL MFK 0.01489 0.43744 4.43787
11 3N7S 3N7 0.00987 0.40995 6.08696
12 1RL4 BL5 0.004824 0.42239 6.91489
13 5V13 JH3 0.008194 0.42471 7.63889
14 4RHP PEF 0.01001 0.41997 7.65957
15 1OQC FAD 0.02853 0.40359 8
16 3NTD COA 0.0457 0.40376 8.28402
17 3B9Z CO2 0.009615 0.40162 8.28402
18 3I59 N6R 0.01108 0.41966 8.43373
19 5CHR 4NC 0.003473 0.41704 8.75912
20 2YNC YNC 0.04479 0.41014 8.87574
21 4KIB SAH 0.01121 0.41676 9.76331
22 1ELR ACE MET GLU GLU VAL ASP 0.0187 0.41001 12.2137
23 4URX FK1 0.01127 0.41415 12.426
24 4DXJ 0M9 0.005148 0.43062 12.7219
25 3TL1 JRO 0.003041 0.40979 20.1258
26 5JNN 6LM 0.0115 0.42662 21.0526
27 3NMV PYV 0.009695 0.41984 22.4719
Pocket No.: 2; Query (leader) PDB : 2UW1; Ligand: GVM; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2uw1.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback