2.500 Å
X-ray
2008-09-25
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: | 19.577 |
---|---|
Number of residues: | 26 |
Including | |
Standard Amino Acids: | 26 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 0 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.503 | 668.250 |
% Hydrophobic | % Polar |
---|---|
44.95 | 55.05 |
According to VolSite |
HET Code: | ABJ |
---|---|
Formula: | C14H15N5O |
Molecular weight: | 269.302 g/mol |
DrugBank ID: | DB07335 |
Buried Surface Area: | 54.78 % |
Polar Surface area: | 89.85 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 5 |
H-Bond Donors: | 2 |
Rings: | 3 |
Aromatic rings: | 3 |
Anionic atoms: | 0 |
Cationic atoms: | 0 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 2 |
X | Y | Z |
---|---|---|
45.0778 | 13.1441 | 31.4757 |
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 |
C20 | CZ3 | TRP- 812 | 3.82 | 0 | Hydrophobic |
C4 | CD1 | ILE- 831 | 3.62 | 0 | Hydrophobic |
C28 | CD1 | ILE- 831 | 3.84 | 0 | Hydrophobic |
O33 | NZ | LYS- 833 | 3.27 | 141.2 | H-Bond (Protein Donor) |
C30 | CG2 | ILE- 879 | 4.04 | 0 | Hydrophobic |
C26 | CD1 | ILE- 879 | 3.58 | 0 | Hydrophobic |
N1 | O | GLU- 880 | 3.04 | 149.17 | H-Bond (Ligand Donor) |
N5 | N | VAL- 882 | 3.1 | 166.59 | H-Bond (Protein Donor) |
C4 | SD | MET- 953 | 3.88 | 0 | Hydrophobic |
C14 | CE | MET- 953 | 3.6 | 0 | Hydrophobic |
C18 | CD1 | ILE- 963 | 3.67 | 0 | Hydrophobic |
C27 | CB | ILE- 963 | 3.56 | 0 | Hydrophobic |
C26 | CB | ASP- 964 | 4.15 | 0 | Hydrophobic |