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Receptor
PDB id Resolution Class Description Source Keywords
2VKL 1.65 Å EC: 5.4.99.5 X-RAY CRYSTAL STRUCTURE OF THE INTRACELLULAR CHORISMATE MUTASE FROM MYCOBACTRERIUM TUBERCULOSIS IN COMPLEX WITH M ALATE MYCOBACTERIUM TUBERCULOSIS HELICAL TUBERCULOSIS INTRACELLULAR CHORISMATE MUTASE ISOMERASE
Ref.: STRUCTURE AND FUNCTION OF A COMPLEX BETWEEN CHORISMATE MUTASE AND DAHP SYNTHASE: EFFICIENCY BOOST FOR THE JUNIOR PARTNER. EMBO J. V. 28 2128 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MLT A:1090;
Valid;
none;
submit data
134.087 C4 H6 O5 C([C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2VKL 1.65 Å EC: 5.4.99.5 X-RAY CRYSTAL STRUCTURE OF THE INTRACELLULAR CHORISMATE MUTASE FROM MYCOBACTRERIUM TUBERCULOSIS IN COMPLEX WITH M ALATE MYCOBACTERIUM TUBERCULOSIS HELICAL TUBERCULOSIS INTRACELLULAR CHORISMATE MUTASE ISOMERASE
Ref.: STRUCTURE AND FUNCTION OF A COMPLEX BETWEEN CHORISMATE MUTASE AND DAHP SYNTHASE: EFFICIENCY BOOST FOR THE JUNIOR PARTNER. EMBO J. V. 28 2128 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 2VKL - MLT C4 H6 O5 C([C@H](C(....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 2VKL - MLT C4 H6 O5 C([C@H](C(....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2VKL - MLT C4 H6 O5 C([C@H](C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MLT; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 LMR 1 1
2 MLT 1 1
3 DMR 1 1
4 DGY 0.52381 0.818182
5 3HG 0.52381 0.761905
6 3HL 0.5 0.666667
7 3HR 0.5 0.666667
8 TRC 0.478261 0.666667
9 S2G 0.461538 0.809524
10 2HG 0.461538 0.809524
11 2RH 0.458333 0.652174
12 ICT 0.444444 0.904762
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2VKL; Ligand: MLT; Similar sites found with APoc: 11
This union binding pocket(no: 1) in the query (biounit: 2vkl.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 2O4J VD4 None
2 1UVC STE None
3 3KFC 61X None
4 1FM9 570 3.33333
5 5E7V M7E 5.55556
6 5LGA 6VH 5.55556
7 4PGK Y69 7.77778
8 5U98 VAL THR THR ASP ILE GLN VAL LYS VAL 8.88889
9 2RFX LEU SER SER PRO VAL THR LYS SER PHE 8.88889
10 3JUQ AKD 10
11 3RET SAL 20
Pocket No.: 2; Query (leader) PDB : 2VKL; Ligand: MLT; 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: 2vkl.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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