2.600 Å
X-ray
2012-06-06
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: | 56.089 |
---|---|
Number of residues: | 30 |
Including | |
Standard Amino Acids: | 29 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 1 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.558 | 536.625 |
% Hydrophobic | % Polar |
---|---|
47.17 | 52.83 |
According to VolSite |
HET Code: | 0TZ |
---|---|
Formula: | C14H13N9 |
Molecular weight: | 307.313 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 71.53 % |
Polar Surface area: | 122.7 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 7 |
H-Bond Donors: | 3 |
Rings: | 4 |
Aromatic rings: | 4 |
Anionic atoms: | 0 |
Cationic atoms: | 0 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 3 |
X | Y | Z |
---|---|---|
21.8753 | 14.0141 | 21.7266 |
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 |
N8 | NZ | LYS- 833 | 3.4 | 149.61 | H-Bond (Protein Donor) |
N9 | OD2 | ASP- 836 | 3.12 | 162.57 | H-Bond (Ligand Donor) |
C14 | CG | TYR- 867 | 3.46 | 0 | Hydrophobic |
C14 | CG2 | ILE- 879 | 3.99 | 0 | Hydrophobic |
C14 | CG2 | VAL- 882 | 3.81 | 0 | Hydrophobic |
N2 | N | VAL- 882 | 3.2 | 162.26 | H-Bond (Protein Donor) |
N4 | O | VAL- 882 | 3.13 | 168.98 | H-Bond (Ligand Donor) |
C14 | CE1 | PHE- 961 | 4.01 | 0 | Hydrophobic |
C14 | CG2 | ILE- 963 | 4.2 | 0 | Hydrophobic |
N9 | OD1 | ASP- 964 | 3.47 | 121.43 | H-Bond (Ligand Donor) |