Receptor
PDB id Resolution Class Description Source Keywords
5jab 1.65 Å NON-ENZYME: OTHER STRUCTURE OF THE BILIVERDIN REDUCTASE RV2074 FROM MYCOBACTER TUBERCULOSIS IN COMPLEX WITH F420 MYCOBACTERIUM TUBERCULOSIS (STRAIN ATCH37RV) BILIVERDIN REDUCTASE SPLIT BETA-BARREL FOLD FLAVIN/DEAZAFLOXIDOREDUCTASE F420 BINDING PROTEIN OXIDOREDUCTASE
Ref.: RV2074 IS A NOVEL F420 H2 -DEPENDENT BILIVERDIN RED MYCOBACTERIUM TUBERCULOSIS. PROTEIN SCI. V. 25 1692 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
6J4 A:201;
C:201;
B:201;
D:201;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
902.707 C34 H43 N6 O21 P C[C@@...
CL C:202;
D:202;
A:202;
B:202;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ASF 1.6 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE CONSERVED HYPOTHETICAL PROTEIN RV20 MYCOBACTERIUM TUBERCULOSIS 1.6 A MYCOBACTERIUM TUBERCULOSIS RV2074 H37RV STRUCTURAL GENOMICS PSI PROTEIN STRUCTURE INITIATIVE TB STRUCTURAL GENOMICS CONSORTIUM TBSGC UNKNOFUNCTION
Ref.: THE MOLECULAR STRUCTURE OF RV2074, A PROBABLE PYRID 5'-PHOSPHATE OXIDASE FROM MYCOBACTERIUM TUBERCULOSI ANGSTROMS RESOLUTION. ACTA CRYSTALLOGR.,SECT.F V. 62 735 2006
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5JAB - 6J4 C34 H43 N6 O21 P C[C@@H](C(....
2 2ASF - CIT C6 H8 O7 C(C(=O)O)C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 5JAB - 6J4 C34 H43 N6 O21 P C[C@@H](C(....
2 2ASF - CIT C6 H8 O7 C(C(=O)O)C....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 5JAB - 6J4 C34 H43 N6 O21 P C[C@@H](C(....
2 2ASF - CIT C6 H8 O7 C(C(=O)O)C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 6J4; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 F42 1 1
2 6J4 1 1
3 QMD 0.634146 0.935897
4 HDF 0.508333 0.833333
5 FO1 0.508333 0.833333
6 9O9 0.431818 0.9
Similar Ligands (3D)
Ligand no: 1; Ligand: 6J4; 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 : 2ASF; Ligand: CIT; 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: 2asf.bio1) has 50 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2ASF; Ligand: CIT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2asf.bio1) has 50 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2ASF; Ligand: CIT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2asf.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2ASF; Ligand: CIT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2asf.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
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