Receptor
PDB id Resolution Class Description Source Keywords
3V99 2.25 Å EC: 1.13.11.34 S663D STABLE-5-LOX IN COMPLEX WITH ARACHIDONIC ACID HOMO SAPIENS LIPOXYGENASE DIOXYGENASE OXIDOREDUCTASE
Ref.: CONVERSION OF HUMAN 5-LIPOXYGENASE TO A 15-LIPOXYGE POINT MUTATION TO MIMIC PHOSPHORYLATION AT SERINE-6 FASEB J. V. 26 3222 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACD A:702;
Valid;
none;
submit data
304.467 C20 H32 O2 CCCCC...
FE2 A:701;
B:701;
Part of Protein;
Part of Protein;
none;
none;
submit data
55.845 Fe [Fe+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3V99 2.25 Å EC: 1.13.11.34 S663D STABLE-5-LOX IN COMPLEX WITH ARACHIDONIC ACID HOMO SAPIENS LIPOXYGENASE DIOXYGENASE OXIDOREDUCTASE
Ref.: CONVERSION OF HUMAN 5-LIPOXYGENASE TO A 15-LIPOXYGE POINT MUTATION TO MIMIC PHOSPHORYLATION AT SERINE-6 FASEB J. V. 26 3222 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3V99 - ACD C20 H32 O2 CCCCCC=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 3V99 - ACD C20 H32 O2 CCCCCC=C/C....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3FG4 - ACD C20 H32 O2 CCCCCC=C/C....
2 4QWT - ACD C20 H32 O2 CCCCCC=C/C....
3 2P0M - RS7 C17 H20 O2 CCCCCCC#Cc....
4 1LOX Ki = 3 uM RS7 C17 H20 O2 CCCCCCC#Cc....
5 3RDE - OYP C23 H34 O3 CCCCCCCCCC....
6 3V99 - ACD C20 H32 O2 CCCCCC=C/C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ACD; Similar ligands found: 21
No: Ligand ECFP6 Tc MDL keys Tc
1 ACD 1 1
2 EPA 0.725 0.869565
3 EIC 0.714286 1
4 LM8 0.68 0.958333
5 OCR 0.584906 0.884615
6 LNL 0.574468 0.913043
7 1AG 0.54717 0.647059
8 EAH 0.491525 0.884615
9 OLA 0.488889 0.956522
10 VCA 0.488889 0.956522
11 ELA 0.488889 0.956522
12 NER 0.488889 0.956522
13 PAM 0.488889 0.956522
14 MYZ 0.466667 0.913043
15 HXA 0.466667 0.782609
16 DJ3 0.460317 0.741935
17 ODD 0.458333 1
18 PTG 0.411765 0.69697
19 6NA 0.410256 0.826087
20 LEA 0.405405 0.73913
21 SHV 0.4 0.869565
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3V99; Ligand: ACD; Similar sites found: 2
This union binding pocket(no: 1) in the query (biounit: 3v99.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 3VNM SDD 0.005581 0.44748
2 1XVB BHL 0.04051 0.40304
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