2.800 Å
X-ray
2011-07-28
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: | 69.690 |
---|---|
Number of residues: | 29 |
Including | |
Standard Amino Acids: | 29 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 0 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
1.181 | 1026.000 |
% Hydrophobic | % Polar |
---|---|
54.93 | 45.07 |
According to VolSite |
HET Code: | ZW3 |
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Formula: | C13H10N4O3S |
Molecular weight: | 302.308 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 64.23 % |
Polar Surface area: | 121.19 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 4 |
H-Bond Donors: | 2 |
Rings: | 3 |
Aromatic rings: | 2 |
Anionic atoms: | 1 |
Cationic atoms: | 1 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 2 |
X | Y | Z |
---|---|---|
45.0562 | 14.3954 | 31.4288 |
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 |
C1 | CH2 | TRP- 812 | 3.55 | 0 | Hydrophobic |
S12 | CD1 | ILE- 831 | 4.34 | 0 | Hydrophobic |
N15 | NZ | LYS- 833 | 2.69 | 154.25 | H-Bond (Protein Donor) |
C1 | CG2 | ILE- 881 | 4.19 | 0 | Hydrophobic |
N4 | O | VAL- 882 | 2.76 | 174.3 | H-Bond (Ligand Donor) |
N21 | N | VAL- 882 | 2.91 | 146.02 | H-Bond (Protein Donor) |
C1 | CB | ALA- 885 | 4.27 | 0 | Hydrophobic |
S12 | CD1 | ILE- 963 | 4.48 | 0 | Hydrophobic |
O17 | OD1 | ASP- 964 | 3.41 | 139.66 | H-Bond (Ligand Donor) |