Receptor
PDB id Resolution Class Description Source Keywords
4ARO 1.59 Å EC: 3.1.3.26 HAFNIA ALVEI PHYTASE IN COMPLEX WITH MYO-INOSITOL HEXAKIS SU HAFNIA ALVEI HYDROLASE 6-PHYTASE MYO-INOSITOL HEXAKIS PHOSPHATE PHOSPHOHYDROLASE HAPP
Ref.: DEGRADATION OF PHYTATE BY THE 6-PHYTASE FROM HAFNIA COMBINED STRUCTURAL AND SOLUTION STUDY. PLOS ONE V. 8 65062 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IHS A:501;
A:502;
 Valid;
Invalid;
 none;
none;
 submit data
660.535 C6 H12 O24 S6 C1(C(...
PEG A:503;
 Invalid;
 none;
 submit data
106.12 C4 H10 O3 C(COC...
K A:504;
 Part of Protein;
 none;
 submit data
39.098 K [K+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4ARU 1.45 Å EC: 3.1.3.26 HAFNIA ALVEI PHYTASE IN COMPLEX WITH TARTRATE HAFNIA ALVEI HYDROLASE 6-PHYTASE PHOSPHOHYDROLASE HAPP
Ref.: DEGRADATION OF PHYTATE BY THE 6-PHYTASE FROM HAFNIA A COMBINED STRUCTURAL AND SOLUTION STUDY. PLOS ONE V. 8 65062 2013
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4ARO - IHS C6 H12 O24 S6 C1(C(C(C(C....
2 4ARU - TLA C4 H6 O6 [C@@H]([C@....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4ARO - IHS C6 H12 O24 S6 C1(C(C(C(C....
2 4ARU - TLA C4 H6 O6 [C@@H]([C@....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4ARO - IHS C6 H12 O24 S6 C1(C(C(C(C....
2 4ARU - TLA C4 H6 O6 [C@@H]([C@....
3 1DKQ - IHP C6 H18 O24 P6 C1(C(C(C(C....
4 1DKP - IHP C6 H18 O24 P6 C1(C(C(C(C....
5 1NT4 - G1P C6 H13 O9 P C([C@@H]1[....
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 : 4ARU; Ligand: TLA; Similar sites found with APoc: 8
This union binding pocket(no: 1) in the query (biounit: 4aru.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 5CDH TLA 13.0952
2 5CDH TLA 13.0952
3 5CDH TLA 13.0952
4 5CDH TLA 13.0952
5 5CDH TLA 13.0952
6 5CDH TLA 13.0952
7 5CDH TLA 13.0952
8 5CDH TLA 13.0952
Pocket No.: 2; Query (leader) PDB : 4ARU; Ligand: TLA; Similar sites found with APoc: 5
This union binding pocket(no: 2) in the query (biounit: 4aru.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
1 3PP0 03Q 1.47929
2 4WHZ 3NL 2.5974
3 2BDJ HET 4.6595
4 3VRY B43 7.50605
5 5QTZ QMY 16.2866
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