2.810 Å
X-ray
2012-03-22
Name: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform |
---|---|
ID: | PK3CG_HUMAN |
AC: | P48736 |
Organism: | Homo sapiens |
Reign: | Eukaryota |
TaxID: | 9606 |
EC Number: | 2.7.1.153 |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 65.406 |
---|---|
Number of residues: | 28 |
Including | |
Standard Amino Acids: | 28 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 0 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
1.075 | 789.750 |
% Hydrophobic | % Polar |
---|---|
50.85 | 49.15 |
According to VolSite |
HET Code: | EM7 |
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Formula: | C13H11N8O |
Molecular weight: | 295.279 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 57.28 % |
Polar Surface area: | 133.67 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 8 |
H-Bond Donors: | 2 |
Rings: | 3 |
Aromatic rings: | 3 |
Anionic atoms: | 1 |
Cationic atoms: | 0 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 3 |
X | Y | Z |
---|---|---|
44.9825 | 12.4378 | 31.501 |
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 |
C8 | CE | MET- 804 | 4.42 | 0 | Hydrophobic |
C8 | CD1 | ILE- 831 | 3.74 | 0 | Hydrophobic |
C6 | CG2 | ILE- 879 | 3.48 | 0 | Hydrophobic |
N8 | O | VAL- 882 | 2.79 | 144.95 | H-Bond (Ligand Donor) |
N5 | N | VAL- 882 | 2.97 | 143.27 | H-Bond (Protein Donor) |
C8 | CD1 | ILE- 963 | 3.68 | 0 | Hydrophobic |
C11 | CB | ILE- 963 | 3.67 | 0 | Hydrophobic |
C9 | CD1 | ILE- 963 | 3.77 | 0 | Hydrophobic |
C10 | CB | ASP- 964 | 3.89 | 0 | Hydrophobic |