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 3HL 0.444444 0.666667
4 3HR 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 with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2uw1.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2UW1; Ligand: GVM; Similar sites found with APoc: 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 Sequence Similarity
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