Receptor
PDB id Resolution Class Description Source Keywords
6E4D 1.25 Å NON-ENZYME: BINDING ATOMIC STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS DPPA MYCOBACTERIUM TUBERCULOSIS HEME-BINDING PERIPLASMIC PROTEIN METAL BINDING PROTEIN
Ref.: HEME AND HEMOGLOBIN UTILIZATION BY MYCOBACTERIUM TUBERCULOSIS. NAT COMMUN V. 10 4260 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
VAL VAL VAL ALA F:1001;
 Valid;
 Atoms found LESS than expected: % Diff = 0.037;
 submit data
371.502 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6E3D 1.27 Å NON-ENZYME: BINDING ATOMIC STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS DPPA MYCOBACTERIUM TUBERCULOSIS HEME-BINDING PERIPLASMIC PROTEIN METAL BINDING PROTEIN
Ref.: HEME AND HEMOGLOBIN UTILIZATION BY MYCOBACTERIUM TUBERCULOSIS. NAT COMMUN V. 10 4260 2019
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 6E3D Kd = 1.5 uM SER SER VAL THR n/a n/a
2 6E4D - VAL VAL VAL ALA n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 6E3D Kd = 1.5 uM SER SER VAL THR n/a n/a
2 6E4D - VAL VAL VAL ALA n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 6E3D Kd = 1.5 uM SER SER VAL THR n/a n/a
2 6E4D - VAL VAL VAL ALA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: VAL VAL VAL ALA; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 VAL VAL VAL ALA 1 1
2 ALA VAL ALA 0.666667 0.96
3 ALA SER VAL SER ALA 0.482143 0.657895
4 LYS TYR PRO PHE VAL GLU PRO ILE 0.456522 0.7
5 IVA VAL VAL STA ALA STA 0.444444 0.88
Similar Ligands (3D)
Ligand no: 1; Ligand: VAL VAL VAL ALA; 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 : 6E3D; Ligand: SER SER VAL THR; 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: 6e3d.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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