Receptor
PDB id Resolution Class Description Source Keywords
1ECM 2.2 Å EC: 7.-.-.- ATOMIC STRUCTURE OF THE BURIED CATALYTIC POCKET OF ESCHERICH CHORISMATE MUTASE ESCHERICHIA COLI P-PROTEIN CHORISMATE MUTASE DOMAIN CHORISMATE MUTASE
Ref.: ATOMIC-STRUCTURE OF THE BURIED CATALYTIC POCKET OF ESCHERICHIA-COLI CHORISMATE MUTASE. J.AM.CHEM.SOC. V. 117 3627 1995
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TSA A:500;
B:501;
Valid;
Valid;
none;
none;
Kd = 2.8 uM
228.199 C10 H12 O6 C1[C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1ECM 2.2 Å EC: 7.-.-.- ATOMIC STRUCTURE OF THE BURIED CATALYTIC POCKET OF ESCHERICH CHORISMATE MUTASE ESCHERICHIA COLI P-PROTEIN CHORISMATE MUTASE DOMAIN CHORISMATE MUTASE
Ref.: ATOMIC-STRUCTURE OF THE BURIED CATALYTIC POCKET OF ESCHERICHIA-COLI CHORISMATE MUTASE. J.AM.CHEM.SOC. V. 117 3627 1995
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 293 families.
1 1ECM Kd = 2.8 uM TSA C10 H12 O6 C1[C@@H]2[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 1ECM Kd = 2.8 uM TSA C10 H12 O6 C1[C@@H]2[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 204 families.
1 1ECM Kd = 2.8 uM 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 : 1ECM; Ligand: TSA; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 1ecm.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 2GBB CIT 11.0092
2 2FP2 TSA 39.4495
Pocket No.: 2; Query (leader) PDB : 1ECM; Ligand: TSA; 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: 1ecm.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1ECM; Ligand: TSA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1ecm.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1ECM; Ligand: TSA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1ecm.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1ECM; Ligand: TSA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1ecm.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1ECM; Ligand: TSA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1ecm.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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