Receptor
PDB id Resolution Class Description Source Keywords
5WVR 2.2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF OSH1 ORD DOMAIN IN COMPLEX WITH CHOLEST KLUYVEROMYCES LACTIS OXYSTEROL BINDING LIPID TRANSFER CHOLESTEROL LIPID BINDIN
Ref.: STRUCTURE OF YEAST OSBP-RELATED PROTEIN OSH1 REVEAL DETERMINANTS FOR LIPID TRANSPORT AND PROTEIN TARGET THE NUCLEUS-VACUOLE JUNCTION STRUCTURE V. 25 617 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:1304;
A:1303;
A:1302;
A:1305;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
CLR A:1301;
 Valid;
 none;
 submit data
386.654 C27 H46 O CC(C)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5H2D 1.6 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF OSH1 ORD DOMAIN IN COMPLEX WITH ERGOSTE KLUYVEROMYCES LACTIS OXYSTEROL BINDING LIPID TRANSFER ERGOSTEROL LIPID BINDING
Ref.: STRUCTURE OF YEAST OSBP-RELATED PROTEIN OSH1 REVEAL DETERMINANTS FOR LIPID TRANSPORT AND PROTEIN TARGET THE NUCLEUS-VACUOLE JUNCTION STRUCTURE V. 25 617 2017
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5WVR - CLR C27 H46 O CC(C)CCC[C....
2 5H2D - ERG C28 H44 O CC(C)[C@@H....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 5WVR - CLR C27 H46 O CC(C)CCC[C....
2 5H2D - ERG C28 H44 O CC(C)[C@@H....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 5WVR - CLR C27 H46 O CC(C)CCC[C....
2 5H2D - 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 : 5H2D; Ligand: ERG; 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: 5h2d.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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