Receptor
PDB id Resolution Class Description Source Keywords
1OCU 2.3 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE YEAST PX-DOMAIN PROTEIN GRD19P (SOR 3) COMPLEXED TO PHOSPHATIDYLINOSYTOL-3-PHOSPHATE. SACCHAROMYCES CEREVISIAE S288C SORTING PROTEIN YEAST PROTEIN SORTING NEXIN COMPLEX WITH PHOSPHATIDYLINOSITOL PHOSPHATE
Ref.: CRYSTAL STRUCTURE OF THE YEAST PHOX HOMOLOGY (PX) D PROTEIN GRD19P COMPLEXED TO PHOSPHATIDYLINOSITOL-3-PHOSPHATE. J. BIOL. CHEM. V. 278 50371 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PIB A:1163;
B:1164;
 Valid;
Valid;
 none;
none;
 submit data
554.374 C17 H32 O16 P2 CCCC(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1OCU 2.3 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE YEAST PX-DOMAIN PROTEIN GRD19P (SOR 3) COMPLEXED TO PHOSPHATIDYLINOSYTOL-3-PHOSPHATE. SACCHAROMYCES CEREVISIAE S288C SORTING PROTEIN YEAST PROTEIN SORTING NEXIN COMPLEX WITH PHOSPHATIDYLINOSITOL PHOSPHATE
Ref.: CRYSTAL STRUCTURE OF THE YEAST PHOX HOMOLOGY (PX) D PROTEIN GRD19P COMPLEXED TO PHOSPHATIDYLINOSITOL-3-PHOSPHATE. J. BIOL. CHEM. V. 278 50371 2003
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 1OCU - PIB C17 H32 O16 P2 CCCC(=O)OC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 1OCU - PIB C17 H32 O16 P2 CCCC(=O)OC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 1OCU - PIB C17 H32 O16 P2 CCCC(=O)OC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PIB; Similar ligands found: 22
No: Ligand ECFP6 Tc MDL keys Tc
1 5P5 1 1
2 PIB 1 1
3 I35 0.870968 0.978261
4 DB4 0.84127 1
5 PBU 0.818182 1
6 PIF 0.623377 0.938776
7 PIO 0.620253 0.938776
8 52N 0.620253 0.938776
9 3PI 0.613333 0.957447
10 IP9 0.6 0.918367
11 PII 0.597403 0.918367
12 PIZ 0.592593 0.918367
13 4PT 0.5625 0.9375
14 B7N 0.534884 0.9
15 T7X 0.51087 0.9
16 CN6 0.413793 0.76
17 44E 0.413333 0.795918
18 PSF 0.409639 0.684211
19 CN3 0.404494 0.76
20 PD7 0.402597 0.795918
21 44G 0.402439 0.764706
22 PIE 0.4 0.843137
Similar Ligands (3D)
Ligand no: 1; Ligand: PIB; 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 : 1OCU; Ligand: PIB; 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: 1ocu.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1OCU; Ligand: PIB; 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: 1ocu.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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