2.310 Å
X-ray
2012-03-22
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: | 59.831 |
---|---|
Number of residues: | 33 |
Including | |
Standard Amino Acids: | 32 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 1 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
1.054 | 1454.625 |
% Hydrophobic | % Polar |
---|---|
45.94 | 54.06 |
According to VolSite |
HET Code: | O92 |
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Formula: | C18H14ClF2N5O3S |
Molecular weight: | 453.850 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 68.09 % |
Polar Surface area: | 135.44 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 6 |
H-Bond Donors: | 3 |
Rings: | 3 |
Aromatic rings: | 3 |
Anionic atoms: | 0 |
Cationic atoms: | 0 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 5 |
X | Y | Z |
---|---|---|
44.6929 | 14.5872 | 32.2708 |
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 |
C17 | CB | MET- 804 | 3.59 | 0 | Hydrophobic |
C18 | CE | MET- 804 | 3.35 | 0 | Hydrophobic |
C18 | CB | SER- 806 | 3.55 | 0 | Hydrophobic |
C17 | CG | PRO- 810 | 3.8 | 0 | Hydrophobic |
C11 | CD1 | ILE- 831 | 3.33 | 0 | Hydrophobic |
CL1 | CD1 | ILE- 879 | 3.92 | 0 | Hydrophobic |
C10 | CD1 | ILE- 879 | 4.47 | 0 | Hydrophobic |
C8 | CG2 | ILE- 879 | 3.66 | 0 | Hydrophobic |
N4 | O | VAL- 882 | 2.86 | 154.51 | H-Bond (Ligand Donor) |
N1 | N | VAL- 882 | 3.05 | 134.83 | H-Bond (Protein Donor) |
C7 | CG2 | ILE- 963 | 3.48 | 0 | Hydrophobic |
C8 | CB | ILE- 963 | 3.47 | 0 | Hydrophobic |
F2 | CD1 | ILE- 963 | 4.44 | 0 | Hydrophobic |
C13 | CD1 | ILE- 963 | 4.16 | 0 | Hydrophobic |
F1 | CG1 | ILE- 963 | 4.29 | 0 | Hydrophobic |
C11 | CD1 | ILE- 963 | 3.84 | 0 | Hydrophobic |
C10 | CD1 | ILE- 963 | 3.76 | 0 | Hydrophobic |
CL1 | CB | ASP- 964 | 3.58 | 0 | Hydrophobic |