Receptor
PDB id Resolution Class Description Source Keywords
3K4Q 2.2 Å EC: 3.1.3.8 ASPERGILLUS NIGER PHYTASE IN COMPLEX WITH MYO-INOSITOL HEXAK ASPERGILLUS NIGER PHYTASE PHYA 3-PHOSPHOTASE MYO-INOSITOL HEXAKIS PHOSPHATEPHOSPHOHYDROLASE 37288-11-2 MYO-INOSITOL HEXAKIS SULFATE62-1 DISULFIDE BOND GLYCOPROTEIN HYDROLASE SECRETED
Ref.: THE STRUCTURE OF ASPERGILLUS NIGER PHYTASE PHYA IN WITH A PHYTATE MIMETIC BIOCHEM.BIOPHYS.RES.COMMUN. V. 397 745 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IHS A:500;
B:500;
Valid;
Valid;
none;
none;
Ki = 4.6 uM
660.535 C6 H12 O24 S6 C1(C(...
NAG A:1082;
A:1184;
A:1316;
A:1353;
B:1082;
B:1184;
B:1316;
B:1353;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3K4Q 2.2 Å EC: 3.1.3.8 ASPERGILLUS NIGER PHYTASE IN COMPLEX WITH MYO-INOSITOL HEXAK ASPERGILLUS NIGER PHYTASE PHYA 3-PHOSPHOTASE MYO-INOSITOL HEXAKIS PHOSPHATEPHOSPHOHYDROLASE 37288-11-2 MYO-INOSITOL HEXAKIS SULFATE62-1 DISULFIDE BOND GLYCOPROTEIN HYDROLASE SECRETED
Ref.: THE STRUCTURE OF ASPERGILLUS NIGER PHYTASE PHYA IN WITH A PHYTATE MIMETIC BIOCHEM.BIOPHYS.RES.COMMUN. V. 397 745 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3K4Q Ki = 4.6 uM 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 1 families.
1 3K4Q Ki = 4.6 uM 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 1 families.
1 3K4Q Ki = 4.6 uM IHS C6 H12 O24 S6 C1(C(C(C(C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: IHS; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 IHS 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3K4Q; Ligand: IHS; Similar sites found: 10
This union binding pocket(no: 1) in the query (biounit: 3k4q.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4IJ6 SEP 0.007376 0.41768 3.31754
2 3OI7 OI7 0.00106 0.41164 7.19178
3 1DKQ IHP 0.00004026 0.50666 7.56098
4 3FDZ DG2 0.000646 0.4221 7.7821
5 4JOB TLA 0.0000007972 0.61427 9.84848
6 1NT4 G1P 0.00002692 0.535 10.2302
7 3IT1 TLA 0.000005871 0.56985 14.0351
8 5CDH TLA 0.00000002008 0.71728 20.5357
9 4FDU IHS 0.0000008884 0.58248 22.5352
10 4ARU TLA 0.000002271 0.56268 32.9298
Pocket No.: 2; Query (leader) PDB : 3K4Q; Ligand: IHS; Similar sites found: 1
This union binding pocket(no: 2) in the query (biounit: 3k4q.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4DXJ IPE 0.03343 0.40895 3.59116
Feedback