Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TLA A:1415;
A:1414;
Invalid;
Valid;
none;
none;
submit data
150.087 C4 H6 O6 [C@@H...
CL A:1418;
A:1419;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
NA A:1416;
Invalid;
none;
submit data
22.99 Na [Na+]
K A:1417;
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
Ligand no: 1; Ligand: TLA; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 SRT 1 1
2 TAR 1 1
3 TLA 1 1
4 LGT 0.588235 1
5 GAE 0.588235 1
6 RAT 0.588235 1
7 2OP 0.5 0.611111
8 LAC 0.5 0.611111
9 IPM 0.47619 0.8
10 LFC 0.434783 0.777778
11 ICT 0.416667 0.727273
12 DXX 0.411765 0.777778
13 MAK 0.4 0.941176
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: 9
This union binding pocket(no: 1) in the query (biounit: 4aru.bio1) has 8 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
9 3K4Q IHS 32.9298
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 3G5D 1N1 4.54545
4 3G5D 1N1 4.54545
5 3VRY B43 7.50605
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