Receptor
PDB id Resolution Class Description Source Keywords
1LRI 1.45 Å NON-ENZYME: TOXIN_VIRAL BETA-CRYPTOGEIN-CHOLESTEROL COMPLEX PHYTOPHTHORA CRYPTOGEA CRYPTOGEIN CHOLESTEROL STEROL CARRIER PROTEIN TOXIN
Ref.: THE 1.45 A RESOLUTION STRUCTURE OF THE CRYPTOGEIN-CHOLESTEROL COMPLEX: A CLOSE-UP VIEW OF A STEROL CARRIER PROTEIN (SCP) ACTIVE SITE. ACTA CRYSTALLOGR.,SECT.D V. 58 1442 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:100;
Invalid;
none;
submit data
35.453 Cl [Cl-]
CLR A:99;
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
1LRI 1.45 Å NON-ENZYME: TOXIN_VIRAL BETA-CRYPTOGEIN-CHOLESTEROL COMPLEX PHYTOPHTHORA CRYPTOGEA CRYPTOGEIN CHOLESTEROL STEROL CARRIER PROTEIN TOXIN
Ref.: THE 1.45 A RESOLUTION STRUCTURE OF THE CRYPTOGEIN-CHOLESTEROL COMPLEX: A CLOSE-UP VIEW OF A STEROL CARRIER PROTEIN (SCP) ACTIVE SITE. ACTA CRYSTALLOGR.,SECT.D V. 58 1442 2002
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 62 families.
1 1BXM - ERG C28 H44 O CC(C)[C@@H....
2 1LRI - CLR C27 H46 O CC(C)CCC[C....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 43 families.
1 1BXM - ERG C28 H44 O CC(C)[C@@H....
2 1LRI - CLR C27 H46 O CC(C)CCC[C....
3 2AIB - ERG C28 H44 O CC(C)[C@@H....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 35 families.
1 1BXM - ERG C28 H44 O CC(C)[C@@H....
2 1LRI - CLR C27 H46 O CC(C)CCC[C....
3 2AIB - ERG C28 H44 O CC(C)[C@@H....
Polypharmacology
Similar Ligands
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 HC2 0.58427 0.921053
6 HCD 0.58427 0.921053
7 5JK 0.573034 0.921053
8 HCR 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 Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1LRI; Ligand: CLR; 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: 1lri.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
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