2.720 Å
X-ray
2010-07-15
Name: | G protein-coupled receptor kinase 6 |
---|---|
ID: | GRK6_HUMAN |
AC: | P43250 |
Organism: | Homo sapiens |
Reign: | Eukaryota |
TaxID: | 9606 |
EC Number: | 2.7.11.16 |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 89.783 |
---|---|
Number of residues: | 29 |
Including | |
Standard Amino Acids: | 29 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 0 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.935 | 1022.625 |
% Hydrophobic | % Polar |
---|---|
45.21 | 54.79 |
According to VolSite |
HET Code: | SGV |
---|---|
Formula: | C12H15N5O5 |
Molecular weight: | 309.278 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 60.8 % |
Polar Surface area: | 169.73 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 8 |
H-Bond Donors: | 5 |
Rings: | 3 |
Aromatic rings: | 2 |
Anionic atoms: | 0 |
Cationic atoms: | 0 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 3 |
X | Y | Z |
---|---|---|
-73.6944 | 16.256 | 22.0773 |
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' | CB | LEU- 192 | 4.45 | 0 | Hydrophobic |
C5 | CG1 | VAL- 200 | 4.18 | 0 | Hydrophobic |
C1' | CG1 | VAL- 200 | 4.08 | 0 | Hydrophobic |
C5 | CB | ALA- 213 | 4.48 | 0 | Hydrophobic |
N6 | O | THR- 264 | 2.92 | 147.89 | H-Bond (Ligand Donor) |
N1 | N | MET- 266 | 3.19 | 160.15 | H-Bond (Protein Donor) |
O2' | OD1 | ASP- 270 | 2.97 | 167.23 | H-Bond (Ligand Donor) |
C3' | CB | ASP- 270 | 4.31 | 0 | Hydrophobic |
C5 | CD1 | LEU- 318 | 3.27 | 0 | Hydrophobic |
C2' | CD2 | LEU- 318 | 4.44 | 0 | Hydrophobic |