Receptor
PDB id Resolution Class Description Source Keywords
4QA8 1.1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF LPRF FROM MYCOBACTERIUM BOVIS MYCOBACTERIUM BOVIS LIPID TRANSFER DIACYLATED GLYCOLIPID LIPID TRANSPORT
Ref.: CRYSTAL STRUCTURE AND FUNCTIONAL IMPLICATIONS OF LP MYCOBACTERIUM TUBERCULOSIS AND M. BOVIS ACTA CRYSTALLOGR.,SECT.D V. 70 2619 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PJZ A:301;
 Valid;
 none;
 submit data
472.7 C30 H48 O4 CCCCC...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4QA8 1.1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF LPRF FROM MYCOBACTERIUM BOVIS MYCOBACTERIUM BOVIS LIPID TRANSFER DIACYLATED GLYCOLIPID LIPID TRANSPORT
Ref.: CRYSTAL STRUCTURE AND FUNCTIONAL IMPLICATIONS OF LP MYCOBACTERIUM TUBERCULOSIS AND M. BOVIS ACTA CRYSTALLOGR.,SECT.D V. 70 2619 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 4QA8 - PJZ C30 H48 O4 CCCCCCCCCC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 4QA8 - PJZ C30 H48 O4 CCCCCCCCCC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 4QA8 - PJZ C30 H48 O4 CCCCCCCCCC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PJZ; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 PJZ 1 1
2 TGL 0.42029 0.9
3 FAW 0.416667 0.787879
4 1EM 0.416667 0.787879
5 L2C 0.416667 0.787879
6 DGA 0.416667 0.787879
7 DDR 0.416667 0.787879
8 2JT 0.409091 0.685714
9 G2A 0.409091 0.685714
10 56S 0.40625 0.724138
Similar Ligands (3D)
Ligand no: 1; Ligand: PJZ; 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 : 4QA8; Ligand: PJZ; 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: 4qa8.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
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