2.400 Å
X-ray
2009-07-20
Name: | Glucokinase |
---|---|
ID: | HXK4_HUMAN |
AC: | P35557 |
Organism: | Homo sapiens |
Reign: | Eukaryota |
TaxID: | 9606 |
EC Number: | 2.7.1.2 |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 33.728 |
---|---|
Number of residues: | 25 |
Including | |
Standard Amino Acids: | 25 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 0 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
1.387 | 675.000 |
% Hydrophobic | % Polar |
---|---|
55.50 | 44.50 |
According to VolSite |
HET Code: | MRK |
---|---|
Formula: | C14H12FN5OS2 |
Molecular weight: | 349.406 g/mol |
DrugBank ID: | DB08210 |
Buried Surface Area: | 68.95 % |
Polar Surface area: | 139.37 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: | 4 |
X | Y | Z |
---|---|---|
-9.89048 | 2.80022 | 21.0648 |
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 |
C11 | CG1 | VAL- 62 | 3.47 | 0 | Hydrophobic |
N4 | N | ARG- 63 | 3.06 | 158.69 | H-Bond (Protein Donor) |
N6 | O | ARG- 63 | 3.32 | 170.47 | H-Bond (Ligand Donor) |
C9 | CG | PRO- 66 | 3.83 | 0 | Hydrophobic |
C22 | CE | MET- 210 | 3.74 | 0 | Hydrophobic |
S16 | CD1 | ILE- 211 | 4.11 | 0 | Hydrophobic |
C13 | CD1 | ILE- 211 | 3.55 | 0 | Hydrophobic |
C12 | CD1 | ILE- 211 | 3.47 | 0 | Hydrophobic |
F14 | CD2 | TYR- 214 | 3.28 | 0 | Hydrophobic |
C21 | CE1 | TYR- 214 | 3.62 | 0 | Hydrophobic |
C22 | CD1 | TYR- 214 | 4.1 | 0 | Hydrophobic |
N23 | OH | TYR- 215 | 3.38 | 154.18 | H-Bond (Ligand Donor) |
C21 | CG | GLU- 221 | 3.74 | 0 | Hydrophobic |
C22 | CG | GLU- 221 | 4.37 | 0 | Hydrophobic |
S16 | CE | MET- 235 | 3.88 | 0 | Hydrophobic |
C21 | CG | MET- 235 | 4.35 | 0 | Hydrophobic |
C22 | CG | MET- 235 | 3.94 | 0 | Hydrophobic |
S1 | CG1 | VAL- 452 | 3.97 | 0 | Hydrophobic |
S1 | CG1 | VAL- 455 | 3.63 | 0 | Hydrophobic |