2.650 Å
X-ray
2011-01-11
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: | 60.500 |
---|---|
Number of residues: | 32 |
Including | |
Standard Amino Acids: | 31 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 1 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.581 | 857.250 |
% Hydrophobic | % Polar |
---|---|
45.28 | 54.72 |
According to VolSite |
HET Code: | QAR |
---|---|
Formula: | C14H13N9 |
Molecular weight: | 307.313 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 66.49 % |
Polar Surface area: | 123.22 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 |
---|---|---|
22.3425 | 14.2557 | 22.0406 |
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 |
C4 | CD1 | ILE- 831 | 4.15 | 0 | Hydrophobic |
N8 | OD2 | ASP- 836 | 3.27 | 157.16 | H-Bond (Ligand Donor) |
C11 | CG | TYR- 867 | 3.33 | 0 | Hydrophobic |
C11 | CG2 | ILE- 879 | 4.04 | 0 | Hydrophobic |
N1 | N | VAL- 882 | 3.14 | 160.99 | H-Bond (Protein Donor) |
C11 | CG2 | VAL- 882 | 4.1 | 0 | Hydrophobic |
N7 | O | VAL- 882 | 2.92 | 152.5 | H-Bond (Ligand Donor) |
C8 | CG2 | THR- 887 | 4.18 | 0 | Hydrophobic |
C4 | SD | MET- 953 | 4.04 | 0 | Hydrophobic |
C7 | CE | MET- 953 | 3.54 | 0 | Hydrophobic |
C11 | CE1 | PHE- 961 | 3.9 | 0 | Hydrophobic |
C4 | CD1 | ILE- 963 | 3.95 | 0 | Hydrophobic |
C11 | CG2 | ILE- 963 | 4.01 | 0 | Hydrophobic |
N8 | OD2 | ASP- 964 | 3.34 | 120.97 | H-Bond (Ligand Donor) |