Receptor
PDB id Resolution Class Description Source Keywords
4MDA 1.7 Å EC: 3.1.-.- STRUCTURE OF MOS1 TRANSPOSASE CATALYTIC DOMAIN AND RALTEGRAV DROSOPHILA MAURITIANA RNASE-H FOLD DDD MOTIF RECOMBINASE DNA TRANSPOSITION DNAINTEGRATION TRANSPOSON DNA HYDROLASE-HYDROLASE INHIBITOR
Ref.: STRUCTURAL BASIS OF MOS1 TRANSPOSASE INHIBITION BY ANTI-RETROVIRAL DRUG RALTEGRAVIR. ACS CHEM.BIOL. V. 9 743 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MN A:402;
A:401;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
54.938 Mn [Mn+2...
RLT A:403;
 Valid;
 none;
 submit data
444.416 C20 H21 F N6 O5 Cc1nn...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4MDB 1.7 Å EC: 3.1.-.- STRUCTURE OF MOS1 TRANSPOSASE CATALYTIC DOMAIN AND RALTEGRAV DROSOPHILA MAURITIANA RNASE-H FOLD DDD MOTIF RECOMBINASE DNA TRANSPOSITION DNAINTEGRATION TRANSPOSON DNA HYDROLASE-HYDROLASE INHIBITOR
Ref.: STRUCTURAL BASIS OF MOS1 TRANSPOSASE INHIBITION BY ANTI-RETROVIRAL DRUG RALTEGRAVIR. ACS CHEM.BIOL. V. 9 743 2014
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 31 families.
1 4MDA - RLT C20 H21 F N6 O5 Cc1nnc(o1)....
2 4MDB - RLT C20 H21 F N6 O5 Cc1nnc(o1)....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 25 families.
1 4MDA - RLT C20 H21 F N6 O5 Cc1nnc(o1)....
2 4MDB - RLT C20 H21 F N6 O5 Cc1nnc(o1)....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 4MDA - RLT C20 H21 F N6 O5 Cc1nnc(o1)....
2 4MDB - RLT C20 H21 F N6 O5 Cc1nnc(o1)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: RLT; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 RLT 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: RLT; 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 : 4MDB; Ligand: RLT; 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: 4mdb.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback