2.500 Å
X-ray
2006-03-16
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: | 43.452 |
---|---|
Number of residues: | 31 |
Including | |
Standard Amino Acids: | 31 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 0 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.911 | 911.250 |
% Hydrophobic | % Polar |
---|---|
48.52 | 51.48 |
According to VolSite |
HET Code: | 090 |
---|---|
Formula: | C18H16N5O3 |
Molecular weight: | 350.351 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 61.18 % |
Polar Surface area: | 93.23 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 5 |
H-Bond Donors: | 2 |
Rings: | 4 |
Aromatic rings: | 4 |
Anionic atoms: | 0 |
Cationic atoms: | 1 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 4 |
X | Y | Z |
---|---|---|
45.7168 | 12.5857 | 31.2556 |
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 |
CAY | CH2 | TRP- 812 | 3.73 | 0 | Hydrophobic |
CAH | CG | TYR- 867 | 3.61 | 0 | Hydrophobic |
CAH | CG2 | ILE- 879 | 4.22 | 0 | Hydrophobic |
CAW | CD1 | ILE- 879 | 4.09 | 0 | Hydrophobic |
CAD | CG2 | ILE- 881 | 4.07 | 0 | Hydrophobic |
NAA | N | VAL- 882 | 2.87 | 172.57 | H-Bond (Protein Donor) |
CAD | CB | ALA- 885 | 4.09 | 0 | Hydrophobic |
CAZ | CE | MET- 953 | 3.9 | 0 | Hydrophobic |
CAE | SD | MET- 953 | 3.56 | 0 | Hydrophobic |
CAI | CE | MET- 953 | 3.54 | 0 | Hydrophobic |
CAC | CE | MET- 953 | 3.59 | 0 | Hydrophobic |
CAH | CE1 | PHE- 961 | 4.27 | 0 | Hydrophobic |
CAP | CD1 | ILE- 963 | 4.03 | 0 | Hydrophobic |
CAZ | CD1 | ILE- 963 | 4.49 | 0 | Hydrophobic |
CAH | CG2 | ILE- 963 | 4 | 0 | Hydrophobic |
CAW | CB | ASP- 964 | 3.93 | 0 | Hydrophobic |