2.400 Å
X-ray
2000-09-08
Name: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform |
---|---|
ID: | PK3CG_PIG |
AC: | O02697 |
Organism: | Sus scrofa |
Reign: | Eukaryota |
TaxID: | 9823 |
EC Number: | 2.7.1.153 |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 57.052 |
---|---|
Number of residues: | 28 |
Including | |
Standard Amino Acids: | 27 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 1 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
1.032 | 624.375 |
% Hydrophobic | % Polar |
---|---|
56.22 | 43.78 |
According to VolSite |
HET Code: | LY2 |
---|---|
Formula: | C19H17NO3 |
Molecular weight: | 307.343 g/mol |
DrugBank ID: | DB02656 |
Buried Surface Area: | 61.43 % |
Polar Surface area: | 38.77 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 4 |
H-Bond Donors: | 0 |
Rings: | 4 |
Aromatic rings: | 2 |
Anionic atoms: | 0 |
Cationic atoms: | 0 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 2 |
X | Y | Z |
---|---|---|
20.9517 | 62.3286 | 21.4085 |
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 |
C25 | SD | MET- 804 | 3.44 | 0 | Hydrophobic |
C25 | CD1 | ILE- 831 | 4.18 | 0 | Hydrophobic |
C2 | CD | LYS- 833 | 4.36 | 0 | Hydrophobic |
C15 | CD2 | TYR- 867 | 3.57 | 0 | Hydrophobic |
C16 | CG | TYR- 867 | 3.59 | 0 | Hydrophobic |
C15 | CG2 | ILE- 879 | 4.49 | 0 | Hydrophobic |
C18 | CG2 | ILE- 881 | 4.22 | 0 | Hydrophobic |
C16 | CG2 | VAL- 882 | 3.57 | 0 | Hydrophobic |
C18 | CB | VAL- 882 | 4.2 | 0 | Hydrophobic |
O17 | N | VAL- 882 | 2.53 | 164.68 | H-Bond (Protein Donor) |
C22 | CG2 | THR- 887 | 3.66 | 0 | Hydrophobic |
C19 | SD | MET- 953 | 3.52 | 0 | Hydrophobic |
C22 | CE | MET- 953 | 3.96 | 0 | Hydrophobic |
C15 | CE1 | PHE- 961 | 3.76 | 0 | Hydrophobic |
C15 | CG2 | ILE- 963 | 3.63 | 0 | Hydrophobic |
C3 | CD1 | ILE- 963 | 4.13 | 0 | Hydrophobic |
C5 | CD1 | ILE- 963 | 4.26 | 0 | Hydrophobic |
C21 | CD1 | ILE- 963 | 4.34 | 0 | Hydrophobic |
C2 | CB | ASP- 964 | 3.84 | 0 | Hydrophobic |