Receptor
PDB id Resolution Class Description Source Keywords
5U9J 2.1 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE FKBP DOMAIN OF HUMAN ARYL HYDROCARB RECEPTOR-INTERACTING PROTEIN-LIKE 1 (AIPL1) COMPLEXED WITH G ERANYL PYROPHOSHATE HOMO SAPIENS AIPL1 FKBP CHAPERONE PDE6 PHOTORECEPTOR LCA ISOPRENYLSIGNALING PROTEIN
Ref.: UNIQUE STRUCTURAL FEATURES OF THE AIPL1-FKBP DOMAIN SUPPORT PRENYL LIPID BINDING AND UNDERLIE PROTEIN MALFUNCTION IN BLINDNESS. PROC. NATL. ACAD. SCI. V. 114 E6536 2017 U.S.A.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IPA A:302;
 Invalid;
 none;
 submit data
60.095 C3 H8 O CC(C)...
GER A:301;
B:301;
 Valid;
Valid;
 Atoms found LESS than expected: % Diff = 0.2;
none;
 submit data
274.484 C20 H34 CC=C(...
NA A:303;
 Part of Protein;
 none;
 submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5U9J 2.1 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE FKBP DOMAIN OF HUMAN ARYL HYDROCARB RECEPTOR-INTERACTING PROTEIN-LIKE 1 (AIPL1) COMPLEXED WITH G ERANYL PYROPHOSHATE HOMO SAPIENS AIPL1 FKBP CHAPERONE PDE6 PHOTORECEPTOR LCA ISOPRENYLSIGNALING PROTEIN
Ref.: UNIQUE STRUCTURAL FEATURES OF THE AIPL1-FKBP DOMAIN SUPPORT PRENYL LIPID BINDING AND UNDERLIE PROTEIN MALFUNCTION IN BLINDNESS. PROC. NATL. ACAD. SCI. V. 114 E6536 2017 U.S.A.
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 5U9J - GER C20 H34 CC=C(/C)CC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 5U9J - GER C20 H34 CC=C(/C)CC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 5U9J - GER C20 H34 CC=C(/C)CC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GER; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 GER 1 1
2 FAR 1 1
3 650 0.785714 0.8125
4 SQL 0.709677 0.941176
5 FOH 0.628571 0.695652
6 FOF 0.628571 0.695652
7 ELX 0.628571 0.695652
8 N1S 0.628571 0.695652
9 64Z 0.514286 0.652174
10 CTV 0.447368 0.684211
11 28U 0.444444 0.615385
12 GRQ 0.421053 0.722222
Similar Ligands (3D)
Ligand no: 1; Ligand: GER; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5U9J; Ligand: GER; 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: 5u9j.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5U9J; Ligand: GER; 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: 5u9j.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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