Receptor
PDB id Resolution Class Description Source Keywords
4DRH 2.3 Å EC: 5.2.1.8 CO-CRYSTAL STRUCTURE OF THE PPIASE DOMAIN OF FKBP51, RAPAMYC FRB FRAGMENT OF MTOR AT LOW PH HOMO SAPIENS FK-506 BINDING DOMAIN HSP90 COCHAPERONE IMMUNOPHILIN PEPTPROLYL ISOMERASE MAMMALIAN TARGET OF RAPAMYCIN KINASE SIIMMUNOSUPPRESSION CANCER ISOMERASE-TRANSFERASE COMPLEX
Ref.: LARGE FK506-BINDING PROTEINS SHAPE THE PHARMACOLOGY RAPAMYCIN. MOL.CELL.BIOL. V. 33 1357 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 B:2204;
E:2205;
B:2201;
A:207;
E:2204;
A:202;
D:205;
E:2201;
A:206;
E:2202;
A:208;
B:2202;
D:202;
D:204;
E:2203;
D:203;
B:2203;
A:205;
E:2206;
A:203;
A:204;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
RAP D:201;
A:201;
 Valid;
Valid;
 none;
none;
 submit data
914.172 C51 H79 N O13 C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4DRI 1.45 Å EC: 5.2.1.8 CO-CRYSTAL STRUCTURE OF THE PPIASE DOMAIN OF FKBP51, RAPAMYC FRB FRAGMENT OF MTOR HOMO SAPIENS FK-506 BINDING DOMAIN HSP90 COCHAPERONE IMMUNOPHILIN PEPTPROLYL ISOMERASE MAMMALIAN TARGET OF RAPAMYCIN KINASE SIIMMUNOSUPPRESSION CANCER ISOMERASE-TRANSFERASE COMPLEX
Ref.: LARGE FK506-BINDING PROTEINS SHAPE THE PHARMACOLOGY RAPAMYCIN. MOL.CELL.BIOL. V. 33 1357 2013
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 30 families.
1 4DRH - RAP C51 H79 N O13 C[C@@H]1CC....
2 4DRI - RAP C51 H79 N O13 C[C@@H]1CC....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 4DRJ - RAP C51 H79 N O13 C[C@@H]1CC....
2 4DRH - RAP C51 H79 N O13 C[C@@H]1CC....
3 4DRI - RAP C51 H79 N O13 C[C@@H]1CC....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 4DRJ - RAP C51 H79 N O13 C[C@@H]1CC....
2 4DRH - RAP C51 H79 N O13 C[C@@H]1CC....
3 4DRI - RAP C51 H79 N O13 C[C@@H]1CC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: RAP; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 RAP 1 1
2 RAD 0.912162 0.96875
3 ARD 0.81761 0.898551
Similar Ligands (3D)
Ligand no: 1; Ligand: RAP; 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 : 4DRI; Ligand: RAP; 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: 4dri.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
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