2.800 Å
X-ray
2012-05-02
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: | 94.787 |
---|---|
Number of residues: | 32 |
Including | |
Standard Amino Acids: | 32 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 0 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.991 | 651.375 |
% Hydrophobic | % Polar |
---|---|
56.48 | 43.52 |
According to VolSite |
HET Code: | 0SD |
---|---|
Formula: | C27H34N7O2 |
Molecular weight: | 488.605 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 53.2 % |
Polar Surface area: | 104.49 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 7 |
H-Bond Donors: | 3 |
Rings: | 6 |
Aromatic rings: | 4 |
Anionic atoms: | 0 |
Cationic atoms: | 1 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 5 |
X | Y | Z |
---|---|---|
18.7915 | -4.34256 | 20.2345 |
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 |
C | CG | MET- 804 | 4.48 | 0 | Hydrophobic |
C3 | CG | MET- 804 | 4.23 | 0 | Hydrophobic |
C11 | SD | MET- 804 | 4.45 | 0 | Hydrophobic |
C | CB | ALA- 805 | 4.06 | 0 | Hydrophobic |
C7 | CZ3 | TRP- 812 | 3.61 | 0 | Hydrophobic |
C26 | CZ3 | TRP- 812 | 4.06 | 0 | Hydrophobic |
C23 | CD1 | ILE- 831 | 4.37 | 0 | Hydrophobic |
C26 | CD1 | ILE- 831 | 3.96 | 0 | Hydrophobic |
C18 | CD | LYS- 833 | 4.22 | 0 | Hydrophobic |
N4 | OH | TYR- 867 | 2.9 | 128.49 | H-Bond (Protein Donor) |
C23 | CG2 | ILE- 879 | 4.12 | 0 | Hydrophobic |
C20 | CD1 | ILE- 879 | 3.8 | 0 | Hydrophobic |
C25 | CG2 | ILE- 881 | 4.06 | 0 | Hydrophobic |
C24 | CG2 | VAL- 882 | 3.75 | 0 | Hydrophobic |
C25 | CB | VAL- 882 | 4.36 | 0 | Hydrophobic |
C25 | CB | ALA- 885 | 4.43 | 0 | Hydrophobic |
C4 | CD | LYS- 890 | 4.44 | 0 | Hydrophobic |
C25 | CE | MET- 953 | 4.19 | 0 | Hydrophobic |
C26 | SD | MET- 953 | 4.4 | 0 | Hydrophobic |
C24 | CE2 | PHE- 961 | 3.95 | 0 | Hydrophobic |
C16 | CD1 | ILE- 963 | 3.9 | 0 | Hydrophobic |
N4 | N | ASP- 964 | 3.21 | 149.16 | H-Bond (Protein Donor) |
C20 | CB | ASP- 964 | 3.61 | 0 | Hydrophobic |