Receptor
PDB id Resolution Class Description Source Keywords
1U25 2.5 Å EC: 3.1.3.72 CRYSTAL STRUCTURE OF SELENOMONAS RUMINANTIUM PHYTASE COMPLEXED WITH PERSULFATED PHYTATE IN THE C2221 CRYSTAL F ORM SELENOMONAS RUMINANTIUM PTP P-LOOP PHYTASE HYDROLASE
Ref.: STRUCTURES OF SELENOMONAS RUMINANTIUM PHYTASE IN COMPLEX WITH PERSULFATED PHYTATE; DSP PHYTASE FOLD AND MECHANISM FOR SEQUENTIAL SUBSTRATE HYDROLYSIS STRUCTURE V. 12 2015 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IHS A:2165;
A:2167;
C:2166;
 Valid;
Valid;
Valid;
 none;
none;
none;
 submit data
660.535 C6 H12 O24 S6 C1(C(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1U25 2.5 Å EC: 3.1.3.72 CRYSTAL STRUCTURE OF SELENOMONAS RUMINANTIUM PHYTASE COMPLEXED WITH PERSULFATED PHYTATE IN THE C2221 CRYSTAL F ORM SELENOMONAS RUMINANTIUM PTP P-LOOP PHYTASE HYDROLASE
Ref.: STRUCTURES OF SELENOMONAS RUMINANTIUM PHYTASE IN COMPLEX WITH PERSULFATED PHYTATE; DSP PHYTASE FOLD AND MECHANISM FOR SEQUENTIAL SUBSTRATE HYDROLYSIS STRUCTURE V. 12 2015 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1U25 - IHS C6 H12 O24 S6 C1(C(C(C(C....
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 1U25 - IHS C6 H12 O24 S6 C1(C(C(C(C....
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 1U25 - IHS C6 H12 O24 S6 C1(C(C(C(C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: IHS; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 IHS 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: IHS; Similar ligands found: 5
No: Ligand Similarity coefficient
1 IHP 0.9562
2 I6P 0.9126
3 I7P 0.8730
4 0EJ 0.8700
5 5MY 0.8652
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1U25; Ligand: IHS; 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: 1u25.bio1) has 4 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1U25; Ligand: IHS; 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: 1u25.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1U25; Ligand: IHS; 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: 1u25.bio3) has 4 residues
No: Leader PDB Ligand Sequence Similarity
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