Receptor
PDB id Resolution Class Description Source Keywords
4FES 2 Å NON-ENZYME: BINDING STRUCTURE OF OSH4 IN COMPLEX WITH CHOLESTEROL ANALOGS SACCHAROMYCES CEREVISIAE OXYSTEROL STEROL BINDING PROTEIN LIPID BINDING PROTEIN
Ref.: SYNTHESIS AND STRUCTURE OF 16,22-DIKETOCHOLESTEROL OXYSTEROL-BINDING PROTEIN OSH4. STEROIDS V. 78 938 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
0T9 B:501;
A:501;
 Valid;
Valid;
 none;
none;
 submit data
428.647 C28 H44 O3 CC[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1ZHX 1.5 Å NON-ENZYME: BINDING STRUCTURE OF YEAST OXYSTEROL BINDING PROTEIN OSH4 IN COMPLEX WITH 25-HYDROXYCHOLESTEROL SACCHAROMYCES CEREVISIAE OXYSTEROLSTEROL BINDING PROTEIN LIPID BINDING PROTEIN
Ref.: STRUCTURAL MECHANISM FOR STEROL SENSING AND TRANSPORT BY OSBP-RELATED PROTEINS NATURE V. 437 154 2005
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 1ZHW - HC2 C27 H46 O2 CC(C)CCC[C....
2 1ZHY Kd = 300 nM CLR C27 H46 O CC(C)CCC[C....
3 1ZHT - HCR C27 H46 O2 C[C@H](CCC....
4 4F4B - L39 C27 H41 I O3 C[C@H](CCC....
5 1ZHX Kd = 55 nM HC3 C27 H46 O2 C[C@H](CCC....
6 4FES - 0T9 C28 H44 O3 CC[C@H](C)....
7 1ZHZ - ERG C28 H44 O CC(C)[C@@H....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 1ZHW - HC2 C27 H46 O2 CC(C)CCC[C....
2 1ZHY Kd = 300 nM CLR C27 H46 O CC(C)CCC[C....
3 1ZHT - HCR C27 H46 O2 C[C@H](CCC....
4 4F4B - L39 C27 H41 I O3 C[C@H](CCC....
5 1ZHX Kd = 55 nM HC3 C27 H46 O2 C[C@H](CCC....
6 4FES - 0T9 C28 H44 O3 CC[C@H](C)....
7 1ZHZ - ERG C28 H44 O CC(C)[C@@H....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 1ZHW - HC2 C27 H46 O2 CC(C)CCC[C....
2 1ZHY Kd = 300 nM CLR C27 H46 O CC(C)CCC[C....
3 1ZHT - HCR C27 H46 O2 C[C@H](CCC....
4 4F4B - L39 C27 H41 I O3 C[C@H](CCC....
5 1ZHX Kd = 55 nM HC3 C27 H46 O2 C[C@H](CCC....
6 4FES - 0T9 C28 H44 O3 CC[C@H](C)....
7 1ZHZ - ERG C28 H44 O CC(C)[C@@H....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 0T9; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 0T9 1 1
2 L39 0.848837 0.902439
3 PLO 0.478723 0.894737
4 HCD 0.442308 0.809524
5 HC2 0.442308 0.809524
6 HC9 0.432692 0.829268
7 CLR 0.432692 0.825
8 AND 0.430108 0.894737
9 HC3 0.428571 0.809524
10 2DC 0.424528 0.813953
Similar Ligands (3D)
Ligand no: 1; Ligand: 0T9; Similar ligands found: 11
No: Ligand Similarity coefficient
1 ERG 0.9305
2 XCA 0.9251
3 5JK 0.9193
4 K2B 0.9183
5 HCR 0.9133
6 DL4 0.9019
7 DL7 0.8993
8 TH2 0.8858
9 D7S 0.8838
10 82R 0.8781
11 LAN 0.8576
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1ZHX; Ligand: HC3; 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: 1zhx.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
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