2.550 Å
X-ray
2010-04-16
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: | 49.993 |
---|---|
Number of residues: | 33 |
Including | |
Standard Amino Acids: | 33 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 0 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.653 | 874.125 |
% Hydrophobic | % Polar |
---|---|
40.54 | 59.46 |
According to VolSite |
HET Code: | ML9 |
---|---|
Formula: | C22H27N5O4 |
Molecular weight: | 425.481 g/mol |
DrugBank ID: | DB11974 |
Buried Surface Area: | 58.31 % |
Polar Surface area: | 123.69 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 8 |
H-Bond Donors: | 2 |
Rings: | 4 |
Aromatic rings: | 2 |
Anionic atoms: | 0 |
Cationic atoms: | 0 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 6 |
X | Y | Z |
---|---|---|
45.0465 | 15.6955 | 31.3265 |
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 |
C26 | SD | MET- 804 | 3.76 | 0 | Hydrophobic |
C27 | CZ3 | TRP- 812 | 3.73 | 0 | Hydrophobic |
C5 | CD1 | ILE- 831 | 4.37 | 0 | Hydrophobic |
C27 | CD1 | ILE- 831 | 3.92 | 0 | Hydrophobic |
C14 | CD1 | ILE- 831 | 4.09 | 0 | Hydrophobic |
C20 | CD1 | LEU- 838 | 4.27 | 0 | Hydrophobic |
C20 | CB | ASP- 841 | 4.47 | 0 | Hydrophobic |
C21 | CG | TYR- 867 | 3.48 | 0 | Hydrophobic |
C21 | CG2 | ILE- 879 | 4.31 | 0 | Hydrophobic |
C20 | CD1 | ILE- 879 | 4.13 | 0 | Hydrophobic |
C15 | CD1 | ILE- 879 | 3.55 | 0 | Hydrophobic |
C21 | CG2 | VAL- 882 | 3.54 | 0 | Hydrophobic |
N1 | N | VAL- 882 | 2.82 | 162.26 | H-Bond (Protein Donor) |
N12 | O | VAL- 882 | 2.6 | 137.78 | H-Bond (Ligand Donor) |
O31 | NZ | LYS- 890 | 3.19 | 129.58 | H-Bond (Protein Donor) |
C5 | SD | MET- 953 | 4.09 | 0 | Hydrophobic |
C23 | SD | MET- 953 | 4.02 | 0 | Hydrophobic |
C21 | CE1 | PHE- 961 | 4.14 | 0 | Hydrophobic |
C5 | CG2 | ILE- 963 | 4.26 | 0 | Hydrophobic |
C23 | CD1 | ILE- 963 | 4.23 | 0 | Hydrophobic |
C20 | CB | ASP- 964 | 4.42 | 0 | Hydrophobic |