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@...
View in 3D viewer
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 319 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 271 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 223 families.
1 1ECM Kd = 2.8 uM TSA C10 H12 O6 C1[C@@H]2[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: TSA; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 TSA 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: TSA; Similar ligands found: 23
No: Ligand Similarity coefficient
1 PRE 0.9519
2 ISJ 0.9487
3 FLC 0.9050
4 KDO 0.9039
5 CIT 0.9012
6 7A2 0.8910
7 KAI 0.8882
8 94E 0.8878
9 HCA 0.8833
10 K2Q 0.8757
11 8VN 0.8708
12 8WQ 0.8703
13 8VE 0.8702
14 40H 0.8700
15 3S4 0.8697
16 NZ2 0.8655
17 R1P 0.8629
18 ICT 0.8618
19 TRC 0.8604
20 GLY ASP 0.8592
21 NQM 0.8556
22 SKM 0.8550
23 JJQ 0.8548
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: 2
This union binding pocket(no: 3) 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.: 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: 1
This union binding pocket(no: 5) in the query (biounit: 1ecm.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 2GBB CIT 11.0092
Pocket No.: 6; Query (leader) PDB : 1ECM; Ligand: TSA; Similar sites found with APoc: 1
This union binding pocket(no: 6) in the query (biounit: 1ecm.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 2GBB CIT 11.0092
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