Receptor
PDB id Resolution Class Description Source Keywords
2CHT 2.2 Å EC: 5.4.99.5 CRYSTAL STRUCTURES OF THE MONOFUNCTIONAL CHORISMATE MUTASE F BACILLUS SUBTILIS AND ITS COMPLEX WITH A TRANSITION STATE A BACILLUS SUBTILIS ISOMERASE
Ref.: CRYSTAL STRUCTURES OF THE MONOFUNCTIONAL CHORISMATE FROM BACILLUS SUBTILIS AND ITS COMPLEX WITH A TRANS STATE ANALOG. PROC.NATL.ACAD.SCI.USA V. 90 8600 1993
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TSA A:203;
B:201;
C:202;
D:206;
E:204;
F:205;
G:209;
H:207;
I:208;
J:212;
K:210;
L:211;
 Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 Ki = 3 uM
228.199 C10 H12 O6 C1[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2CHT 2.2 Å EC: 5.4.99.5 CRYSTAL STRUCTURES OF THE MONOFUNCTIONAL CHORISMATE MUTASE F BACILLUS SUBTILIS AND ITS COMPLEX WITH A TRANSITION STATE A BACILLUS SUBTILIS ISOMERASE
Ref.: CRYSTAL STRUCTURES OF THE MONOFUNCTIONAL CHORISMATE FROM BACILLUS SUBTILIS AND ITS COMPLEX WITH A TRANS STATE ANALOG. PROC.NATL.ACAD.SCI.USA V. 90 8600 1993
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 3ZP4 - TSA C10 H12 O6 C1[C@@H]2[....
2 1COM - PRE C10 H10 O6 C1=CC(C=CC....
3 3ZP7 - ISJ C10 H10 O6 C=C(C(=O)O....
4 2CHT Ki = 3 uM TSA C10 H12 O6 C1[C@@H]2[....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 3ZP4 - TSA C10 H12 O6 C1[C@@H]2[....
2 1COM - PRE C10 H10 O6 C1=CC(C=CC....
3 3ZP7 - ISJ C10 H10 O6 C=C(C(=O)O....
4 2CHT Ki = 3 uM TSA C10 H12 O6 C1[C@@H]2[....
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 3ZP4 - TSA C10 H12 O6 C1[C@@H]2[....
2 1COM - PRE C10 H10 O6 C1=CC(C=CC....
3 3ZP7 - ISJ C10 H10 O6 C=C(C(=O)O....
4 2CHT Ki = 3 uM TSA C10 H12 O6 C1[C@@H]2[....
5 1UFY - MLI C3 H2 O4 C(C(=O)[O-....
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 : 2CHT; 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: 1) in the query (biounit: 2cht.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2CHT; 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: 2cht.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2CHT; 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: 2cht.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2CHT; 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: 2cht.bio4) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2CHT; 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: 2cht.bio4) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2CHT; 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: 2cht.bio4) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2CHT; 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: 7) in the query (biounit: 2cht.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2CHT; 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: 8) in the query (biounit: 2cht.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 2CHT; 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: 9) in the query (biounit: 2cht.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 2CHT; 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: 10) in the query (biounit: 2cht.bio3) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 2CHT; 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: 11) in the query (biounit: 2cht.bio3) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 2CHT; 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: 12) in the query (biounit: 2cht.bio3) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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