Receptor
PDB id Resolution Class Description Source Keywords
1TO9 2.4 Å EC: 3.5.99.2 CRYSTAL STRUCTURE OF THI-4 PROTEIN FROM BACILLUS SUBTILIS BACILLUS SUBTILIS TENA THIAMINE BIOSYNTHESIS ALL-ALPHA STRUCTURAL GENOMICSPROTEIN STRUCTURE INITIATIVE MIDWEST CENTER FOR STRUCTURALGENOMICS MCSG BIOSYNTHETIC PROTEIN
Ref.: CRYSTAL STRUCTURE OF THI-4 PROTEIN FROM BACILLUS SU TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HMH A:301;
B:302;
Valid;
Valid;
none;
none;
submit data
139.155 C6 H9 N3 O Cc1nc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1TO9 2.4 Å EC: 3.5.99.2 CRYSTAL STRUCTURE OF THI-4 PROTEIN FROM BACILLUS SUBTILIS BACILLUS SUBTILIS TENA THIAMINE BIOSYNTHESIS ALL-ALPHA STRUCTURAL GENOMICSPROTEIN STRUCTURE INITIATIVE MIDWEST CENTER FOR STRUCTURALGENOMICS MCSG BIOSYNTHETIC PROTEIN
Ref.: CRYSTAL STRUCTURE OF THI-4 PROTEIN FROM BACILLUS SU TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1TO9 - HMH C6 H9 N3 O Cc1ncc(c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1TO9 - HMH C6 H9 N3 O Cc1ncc(c(n....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1TO9 - HMH C6 H9 N3 O Cc1ncc(c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HMH; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 HMH 1 1
2 NSP 0.628571 0.842105
3 NFM 0.511628 0.804878
4 MP5 0.511111 0.686275
5 PF1 0.5 0.660377
6 YF3 0.458333 0.680851
7 PYD 0.444444 0.657895
8 VIB 0.421053 0.603448
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1TO9; Ligand: HMH; 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: 1to9.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1TO9; Ligand: HMH; 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: 1to9.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1TO9; Ligand: HMH; 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: 1to9.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1TO9; Ligand: HMH; 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: 1to9.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1TO9; Ligand: HMH; 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: 1to9.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1TO9; Ligand: HMH; 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: 1to9.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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