Receptor
PDB id Resolution Class Description Source Keywords
2FP2 1.64 Å EC: 5.4.99.5 SECRETED CHORISMATE MUTASE FROM MYCOBACTERIUM TUBERCULOSIS MYCOBACTERIUM TUBERCULOSIS ALPHA-HELICAL ISOMERASE
Ref.: 1.6A CRYSTAL STRUCTURE OF THE SECRETED CHORISMATE M FROM MYCOBACTERIUM TUBERCULOSIS: NOVEL FOLD TOPOLOG REVEALED J.MOL.BIOL. V. 357 1483 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TSA B:500;
Valid;
none;
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228.199 C10 H12 O6 C1[C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2FP2 1.64 Å EC: 5.4.99.5 SECRETED CHORISMATE MUTASE FROM MYCOBACTERIUM TUBERCULOSIS MYCOBACTERIUM TUBERCULOSIS ALPHA-HELICAL ISOMERASE
Ref.: 1.6A CRYSTAL STRUCTURE OF THE SECRETED CHORISMATE M FROM MYCOBACTERIUM TUBERCULOSIS: NOVEL FOLD TOPOLOG REVEALED J.MOL.BIOL. V. 357 1483 2006
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 2AO2 - TRP C11 H12 N2 O2 c1ccc2c(c1....
2 2FP2 - TSA C10 H12 O6 C1[C@@H]2[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 2AO2 - TRP C11 H12 N2 O2 c1ccc2c(c1....
2 2FP2 - TSA C10 H12 O6 C1[C@@H]2[....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2AO2 - TRP C11 H12 N2 O2 c1ccc2c(c1....
2 2FP2 - TSA C10 H12 O6 C1[C@@H]2[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TSA; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 TSA 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2FP2; Ligand: TSA; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 2fp2.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 1ECM TSA 39.4495
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