Receptor
PDB id Resolution Class Description Source Keywords
1ZHY 1.6 Å NON-ENZYME: BINDING STRUCTURE OF YEAST OXYSTEROL BINDING PROTEIN OSH4 IN COMPLEX WITH CHOLESTEROL SACCHAROMYCES CEREVISIAE OXYSTEROL STEROL BINDING PROTEIN LIPID BINDING PROTEIN
Ref.: STRUCTURAL MECHANISM FOR STEROL SENSING AND TRANSPORT BY OSBP-RELATED PROTEINS NATURE V. 437 154 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CLR A:1001;
 Valid;
 none;
 Kd = 300 nM
386.654 C27 H46 O CC(C)...
PB A:2001;
A:2002;
 Invalid;
Invalid;
 none;
none;
 submit data
207.2 Pb [Pb+2...
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: CLR; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 CLR 1 1
2 HC3 0.807692 0.921053
3 HC9 0.666667 0.894737
4 Y01 0.638298 0.853659
5 HCD 0.58427 0.921053
6 HC2 0.58427 0.921053
7 HCR 0.573034 0.921053
8 5JK 0.573034 0.921053
9 2OB 0.560748 0.8
10 2DC 0.543478 0.829268
11 CLL 0.535714 0.8
12 PLO 0.529412 0.864865
13 K2B 0.494624 0.861111
14 XCA 0.46 0.829268
15 AND 0.44186 0.864865
16 0T9 0.432692 0.825
17 L39 0.428571 0.785714
18 DL4 0.407767 0.804878
Similar Ligands (3D)
Ligand no: 1; Ligand: CLR; Similar ligands found: 15
No: Ligand Similarity coefficient
1 ERG 0.9665
2 DL7 0.9388
3 D7S 0.9361
4 TH2 0.9170
5 HE7 0.9088
6 LAN 0.9047
7 C3S 0.8964
8 98H 0.8961
9 4D8 0.8901
10 DXC 0.8702
11 6WV 0.8684
12 3G6 0.8648
13 CHD 0.8639
14 20E 0.8581
15 J60 0.8555
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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