Receptor
PDB id Resolution Class Description Source Keywords
5GPG 1.67 Å EC: 5.2.1.8 CO-CRYSTAL STRUCTURE OF THE FK506 BINDING DOMAIN OF HUMAN FK RAPAMYCIN AND THE FRB DOMAIN OF HUMAN MTOR HOMO SAPIENS COMPLEX KINASE ISOMERASE-TRANSFERASE COMPLEX
Ref.: PROXIMITY-DIRECTED LABELING REVEALS A NEW RAPAMYCIN HETERODIMER OF FKBP25 AND FRB IN LIVE CELLS ACS CENT.SCI. V. 2 506 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
RAP A:301;
Valid;
none;
submit data
914.172 C51 H79 N O13 C[C@@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5GPG 1.67 Å EC: 5.2.1.8 CO-CRYSTAL STRUCTURE OF THE FK506 BINDING DOMAIN OF HUMAN FK RAPAMYCIN AND THE FRB DOMAIN OF HUMAN MTOR HOMO SAPIENS COMPLEX KINASE ISOMERASE-TRANSFERASE COMPLEX
Ref.: PROXIMITY-DIRECTED LABELING REVEALS A NEW RAPAMYCIN HETERODIMER OF FKBP25 AND FRB IN LIVE CELLS ACS CENT.SCI. V. 2 506 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 5GPG - RAP C51 H79 N O13 C[C@@H]1CC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 5GPG - RAP C51 H79 N O13 C[C@@H]1CC....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 5GPG - RAP C51 H79 N O13 C[C@@H]1CC....
2 3FAP - ARD C55 H81 N O12 S Cc1ccc(s1)....
3 1NSG - RAD C52 H81 N O13 CCO[C@H]1C....
4 2FAP - RAD C52 H81 N O13 CCO[C@H]1C....
Polypharmacology
Similar Ligands
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 Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5GPG; Ligand: RAP; Similar sites found: 13
This union binding pocket(no: 1) in the query (biounit: 5gpg.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4WG0 CHD 0.01253 0.42702 None
2 4XNV BUR 0.01943 0.42018 5.98291
3 2J8R MSL 0.02366 0.40921 6.83761
4 5E58 CPZ 0.01512 0.41384 9.67742
5 3VY6 BGC BGC 0.0291 0.40621 10.7527
6 5OCA 9QZ 0.0084 0.45569 11.1111
7 5U98 1KX 0.01944 0.40952 14.1414
8 5L2J 70E 0.03441 0.40222 14.2857
9 5L2J 6UL 0.03251 0.40222 14.2857
10 1GEG GLC 0.01562 0.43128 15.0538
11 4MGA 27L 0.02623 0.41277 23.6559
12 5V4R MGT 0.02119 0.41474 24.7312
13 3WUR O4B 0.01569 0.42276 35.4839
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