2.900 Å
X-ray
2013-02-11
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: | 79.205 |
---|---|
Number of residues: | 33 |
Including | |
Standard Amino Acids: | 33 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 0 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.393 | 587.250 |
% Hydrophobic | % Polar |
---|---|
49.43 | 50.57 |
According to VolSite |
HET Code: | 1JV |
---|---|
Formula: | C22H21F3N6O2S |
Molecular weight: | 490.501 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 59.8 % |
Polar Surface area: | 119.12 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 6 |
H-Bond Donors: | 1 |
Rings: | 5 |
Aromatic rings: | 4 |
Anionic atoms: | 0 |
Cationic atoms: | 0 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 6 |
X | Y | Z |
---|---|---|
19.5242 | 61.6451 | 22.0963 |
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 |
F31 | SD | MET- 804 | 4.25 | 0 | Hydrophobic |
F32 | SD | MET- 804 | 3.9 | 0 | Hydrophobic |
F33 | CG | PRO- 810 | 3.91 | 0 | Hydrophobic |
C1 | CZ2 | TRP- 812 | 3.96 | 0 | Hydrophobic |
C3 | CH2 | TRP- 812 | 3.54 | 0 | Hydrophobic |
F31 | CD1 | ILE- 831 | 3.26 | 0 | Hydrophobic |
C14 | CD1 | ILE- 831 | 3.8 | 0 | Hydrophobic |
C30 | CD | LYS- 833 | 4.23 | 0 | Hydrophobic |
C18 | CG | TYR- 867 | 3.94 | 0 | Hydrophobic |
S23 | CZ | TYR- 867 | 3.34 | 0 | Hydrophobic |
C18 | CG2 | ILE- 879 | 4.43 | 0 | Hydrophobic |
S23 | CG2 | ILE- 879 | 3.56 | 0 | Hydrophobic |
F31 | CD1 | ILE- 879 | 4.46 | 0 | Hydrophobic |
C3 | CG2 | ILE- 881 | 3.68 | 0 | Hydrophobic |
C34 | CG2 | ILE- 881 | 3.73 | 0 | Hydrophobic |
O16 | N | VAL- 882 | 2.94 | 156.06 | H-Bond (Protein Donor) |
C17 | CB | VAL- 882 | 3.66 | 0 | Hydrophobic |
C18 | CG2 | VAL- 882 | 4.23 | 0 | Hydrophobic |
C3 | CD | LYS- 883 | 3.74 | 0 | Hydrophobic |
O4 | N | ASP- 884 | 2.8 | 147.31 | H-Bond (Protein Donor) |
C14 | SD | MET- 953 | 3.99 | 0 | Hydrophobic |
C17 | SD | MET- 953 | 4.05 | 0 | Hydrophobic |
C12 | CE | MET- 953 | 3.96 | 0 | Hydrophobic |
C17 | CE1 | PHE- 961 | 3.84 | 0 | Hydrophobic |
C18 | CG2 | ILE- 963 | 4.04 | 0 | Hydrophobic |
S23 | CG2 | ILE- 963 | 3.49 | 0 | Hydrophobic |
C29 | CD1 | ILE- 963 | 4.45 | 0 | Hydrophobic |