Receptor
PDB id Resolution Class Description Source Keywords
1UFY 0.96 Å EC: 5.4.99.5 CRYSTAL ANALYSIS OF CHORISMATE MUTASE FROM THERMUS THERMOPHI THERMUS THERMOPHILUS CHORISMATE MUTASE SHIKIMATE PATHWAY MUTANT RIKEN STRUCTURGENOMICS/PROTEOMICS INITIATIVE RSGI STRUCTURAL GENOMICS
Ref.: THE CRYSTAL STRUCTURE OF CHORISMATE MUTASE FROM THE THERMOPHILUS TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:401;
Invalid;
none;
submit data
35.453 Cl [Cl-]
MES A:301;
A:302;
A:303;
A:304;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
195.237 C6 H13 N O4 S C1COC...
MLI A:201;
Valid;
none;
submit data
102.046 C3 H2 O4 C(C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1UFY 0.96 Å EC: 5.4.99.5 CRYSTAL ANALYSIS OF CHORISMATE MUTASE FROM THERMUS THERMOPHI THERMUS THERMOPHILUS CHORISMATE MUTASE SHIKIMATE PATHWAY MUTANT RIKEN STRUCTURGENOMICS/PROTEOMICS INITIATIVE RSGI STRUCTURAL GENOMICS
Ref.: THE CRYSTAL STRUCTURE OF CHORISMATE MUTASE FROM THE THERMOPHILUS TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 1UFY - MLI C3 H2 O4 C(C(=O)[O-....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 1UFY - MLI C3 H2 O4 C(C(=O)[O-....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1UFY - MLI C3 H2 O4 C(C(=O)[O-....
2 3ZP4 - TSA C10 H12 O6 C1C2C(C=CC....
3 1COM - PRE C10 H10 O6 C1=CC(C=CC....
4 3ZP7 - ISJ C10 H10 O6 C=C(C(=O)O....
5 2CHT Ki = 3 uM TSA C10 H12 O6 C1C2C(C=CC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MLI; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 MLI 1 1
2 OAA 0.5 0.666667
3 OXL 0.416667 0.642857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1UFY; Ligand: MLI; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1ufy.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
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