2.950 Å
X-ray
2012-10-19
Name: | Phosphatidylinositol 4-kinase type 2-alpha |
---|---|
ID: | P4K2A_HUMAN |
AC: | Q9BTU6 |
Organism: | Homo sapiens |
Reign: | Eukaryota |
TaxID: | 9606 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 58.693 |
---|---|
Number of residues: | 29 |
Including | |
Standard Amino Acids: | 28 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 1 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.563 | 442.125 |
% Hydrophobic | % Polar |
---|---|
47.33 | 52.67 |
According to VolSite |
HET Code: | ADP |
---|---|
Formula: | C10H12N5O10P2 |
Molecular weight: | 424.177 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 57.01 % |
Polar Surface area: | 260.7 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 14 |
H-Bond Donors: | 3 |
Rings: | 3 |
Aromatic rings: | 2 |
Anionic atoms: | 3 |
Cationic atoms: | 0 |
Rule of Five Violation: | 1 |
Rotatable Bonds: | 6 |
X | Y | Z |
---|---|---|
-50.9125 | 78.1044 | 7.77919 |
Represent the protein/ligand binding mode, centered on the ligand
Dashed lines represents hydrogen bonds and metal interactions
Green residue labels for amino acids with hydrophobic contacts (green lines) to the ligand
Ligand | Protein | Interaction | |||
---|---|---|---|---|---|
Atom | Atom | Residue | Distance (Å) | Angle (°) | Type |
C5' | CD1 | ILE- 130 | 4.14 | 0 | Hydrophobic |
O2B | N | SER- 134 | 3.16 | 140.58 | H-Bond (Protein Donor) |
O3B | OG | SER- 134 | 3.24 | 137.25 | H-Bond (Protein Donor) |
O2B | OG | SER- 137 | 3.01 | 146.14 | H-Bond (Protein Donor) |
O2A | NZ | LYS- 152 | 3.41 | 132.55 | H-Bond (Protein Donor) |
O3A | NZ | LYS- 152 | 3.19 | 152.22 | H-Bond (Protein Donor) |
O2A | NZ | LYS- 152 | 3.41 | 0 | Ionic (Protein Cationic) |
N6 | OE1 | GLN- 261 | 2.75 | 168.75 | H-Bond (Ligand Donor) |
N6 | O | LEU- 262 | 3 | 140.81 | H-Bond (Ligand Donor) |
N1 | N | VAL- 264 | 2.94 | 177.55 | H-Bond (Protein Donor) |
C2' | CD1 | ILE- 345 | 3.99 | 0 | Hydrophobic |