Receptor
PDB id Resolution Class Description Source Keywords
4LAX 2.01 Å EC: 5.2.1.8 CRYSTAL STRUCTURE ANALYSIS OF FKBP52, COMPLEX WITH FK506 HOMO SAPIENS FK-506 BINDING DOMAIN HSP90 COCHAPERONE IMMUNOPHILIN PEPTPROLYL ISOMERASE PROTEIN FOLDING ISOMERASE
Ref.: CRYSTAL STRUCTURES OF THE FREE AND LIGAND-BOUND FK1 DOMAIN SEGMENT OF FKBP52 REVEAL A FLEXIBLE INTER-DO HINGE. J.MOL.BIOL. V. 425 4134 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:305;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
FK5 A:301;
Valid;
none;
submit data
804.018 C44 H69 N O12 C[C@@...
DMS A:304;
A:303;
A:302;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
78.133 C2 H6 O S CS(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4LAX 2.01 Å EC: 5.2.1.8 CRYSTAL STRUCTURE ANALYSIS OF FKBP52, COMPLEX WITH FK506 HOMO SAPIENS FK-506 BINDING DOMAIN HSP90 COCHAPERONE IMMUNOPHILIN PEPTPROLYL ISOMERASE PROTEIN FOLDING ISOMERASE
Ref.: CRYSTAL STRUCTURES OF THE FREE AND LIGAND-BOUND FK1 DOMAIN SEGMENT OF FKBP52 REVEAL A FLEXIBLE INTER-DO HINGE. J.MOL.BIOL. V. 425 4134 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 30 families.
1 4LAX - FK5 C44 H69 N O12 C[C@@H]1C[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 4LAX - FK5 C44 H69 N O12 C[C@@H]1C[....
2 4LAY - I63 C32 H41 N O9 CCC(C)(C)C....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 4LAX - FK5 C44 H69 N O12 C[C@@H]1C[....
2 4LAY - I63 C32 H41 N O9 CCC(C)(C)C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FK5; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 FK5 1 1
2 FKA 0.746667 0.871429
3 818 0.714286 0.968254
4 858 0.660494 0.847222
Similar Ligands (3D)
Ligand no: 1; Ligand: FK5; 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 : 4LAX; Ligand: FK5; 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: 4lax.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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