2.670 Å
X-ray
2012-05-02
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: | 56.612 |
---|---|
Number of residues: | 33 |
Including | |
Standard Amino Acids: | 32 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 1 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
1.077 | 695.250 |
% Hydrophobic | % Polar |
---|---|
57.28 | 42.72 |
According to VolSite |
HET Code: | 0SC |
---|---|
Formula: | C28H34FN6O2 |
Molecular weight: | 505.607 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 49.3 % |
Polar Surface area: | 91.6 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 6 |
H-Bond Donors: | 3 |
Rings: | 6 |
Aromatic rings: | 4 |
Anionic atoms: | 0 |
Cationic atoms: | 1 |
Rule of Five Violation: | 1 |
Rotatable Bonds: | 5 |
X | Y | Z |
---|---|---|
18.6424 | -5.53314 | 19.6412 |
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 |
C12 | CE | MET- 804 | 3.36 | 0 | Hydrophobic |
C28 | CZ3 | TRP- 812 | 4.21 | 0 | Hydrophobic |
C8 | CZ3 | TRP- 812 | 3.25 | 0 | Hydrophobic |
C3 | CD2 | TRP- 812 | 4.28 | 0 | Hydrophobic |
C28 | CD1 | ILE- 831 | 3.79 | 0 | Hydrophobic |
C25 | CD1 | ILE- 831 | 3.81 | 0 | Hydrophobic |
C23 | CD | LYS- 833 | 3.85 | 0 | Hydrophobic |
C22 | CD1 | LEU- 838 | 4.49 | 0 | Hydrophobic |
N5 | OD2 | ASP- 841 | 2.79 | 151.46 | H-Bond (Ligand Donor) |
C25 | CG2 | ILE- 879 | 3.8 | 0 | Hydrophobic |
C21 | CD1 | ILE- 879 | 3.68 | 0 | Hydrophobic |
C27 | CG2 | ILE- 881 | 4.28 | 0 | Hydrophobic |
C27 | CB | VAL- 882 | 4.29 | 0 | Hydrophobic |
C26 | CG2 | VAL- 882 | 3.94 | 0 | Hydrophobic |
O1 | N | VAL- 882 | 2.58 | 170.48 | H-Bond (Protein Donor) |
C11 | CG2 | THR- 887 | 4.12 | 0 | Hydrophobic |
C28 | SD | MET- 953 | 4.13 | 0 | Hydrophobic |
C27 | CE | MET- 953 | 3.92 | 0 | Hydrophobic |
C26 | CE2 | PHE- 961 | 3.92 | 0 | Hydrophobic |
C18 | CB | ILE- 963 | 4.24 | 0 | Hydrophobic |
C12 | CD1 | ILE- 963 | 3.73 | 0 | Hydrophobic |
C25 | CG2 | ILE- 963 | 4.21 | 0 | Hydrophobic |
C21 | CB | ASP- 964 | 4.49 | 0 | Hydrophobic |