Receptor
PDB id Resolution Class Description Source Keywords
1C3Q 2 Å EC: 2.7.1.50 CRYSTAL STRUCTURE OF NATIVE THIAZOLE KINASE IN THE MONOCLINIC FORM BACILLUS SUBTILIS ALPHA-BETA ATP BINDING KINASE TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF 4-METHYL-5-BETA-HYDROXYETHYLTHIAZOLE KINASE FROM BACILLUS SUBTILIS AT 1.5 A RESOLUTION. BIOCHEMISTRY V. 39 7868 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:304;
Invalid;
none;
submit data
35.453 Cl [Cl-]
TZE A:301;
A:302;
B:303;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
143.207 C6 H9 N O S Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1C3Q 2 Å EC: 2.7.1.50 CRYSTAL STRUCTURE OF NATIVE THIAZOLE KINASE IN THE MONOCLINIC FORM BACILLUS SUBTILIS ALPHA-BETA ATP BINDING KINASE TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF 4-METHYL-5-BETA-HYDROXYETHYLTHIAZOLE KINASE FROM BACILLUS SUBTILIS AT 1.5 A RESOLUTION. BIOCHEMISTRY V. 39 7868 2000
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1EKK - TZE C6 H9 N O S Cc1c(scn1)....
2 1ESQ - TZP C6 H10 N O4 P S Cc1c(scn1)....
3 1C3Q - TZE C6 H9 N O S Cc1c(scn1)....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1EKK - TZE C6 H9 N O S Cc1c(scn1)....
2 1ESQ - TZP C6 H10 N O4 P S Cc1c(scn1)....
3 1C3Q - TZE C6 H9 N O S Cc1c(scn1)....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1EKK - TZE C6 H9 N O S Cc1c(scn1)....
2 1ESQ - TZP C6 H10 N O4 P S Cc1c(scn1)....
3 1C3Q - TZE C6 H9 N O S Cc1c(scn1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TZE; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 TZE 1 1
2 TZP 0.488372 0.604167
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1C3Q; Ligand: TZE; 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: 1c3q.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
Pocket No.: 2; Query (leader) PDB : 1C3Q; Ligand: TZE; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1c3q.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
Pocket No.: 3; Query (leader) PDB : 1C3Q; Ligand: TZE; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1c3q.bio1) has 48 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
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