Receptor
PDB id Resolution Class Description Source Keywords
2hw2 1.45 Å EC: 2.4.2.30 CRYSTAL STRUCTURE OF RIFAMPIN ADP-RIBOSYL TRANSFERASE IN COM RIFAMPIN MYCOBACTERIUM SMEGMATIS PROTEIN-ANTIBIOTIC COMPLEX ADP-RIBOSYLATION TRANSFERASE R
Ref.: RIFAMYCIN ANTIBIOTIC RESISTANCE BY ADP-RIBOSYLATION STRUCTURE AND DIVERSITY OF ARR. PROC.NATL.ACAD.SCI.USA V. 105 4886 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
RFP A:1200;
 Valid;
 none;
 Ki = 1.07 mM
822.94 C43 H58 N4 O12 Cc1c(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2HW2 1.45 Å EC: 2.4.2.30 CRYSTAL STRUCTURE OF RIFAMPIN ADP-RIBOSYL TRANSFERASE IN COM RIFAMPIN MYCOBACTERIUM SMEGMATIS PROTEIN-ANTIBIOTIC COMPLEX ADP-RIBOSYLATION TRANSFERASE R
Ref.: RIFAMYCIN ANTIBIOTIC RESISTANCE BY ADP-RIBOSYLATION STRUCTURE AND DIVERSITY OF ARR. PROC.NATL.ACAD.SCI.USA V. 105 4886 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 2HW2 Ki = 1.07 mM RFP C43 H58 N4 O12 Cc1c(c2c3c....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 2HW2 Ki = 1.07 mM RFP C43 H58 N4 O12 Cc1c(c2c3c....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 2HW2 Ki = 1.07 mM RFP C43 H58 N4 O12 Cc1c(c2c3c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: RFP; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 RFP 1 1
2 RPT 0.858156 0.961039
3 RBT 0.511628 0.793103
Similar Ligands (3D)
Ligand no: 1; Ligand: RFP; 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 : 2HW2; Ligand: RFP; 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: 2hw2.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
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