1.900 Å
X-ray
2011-01-20
Name: | Deoxycytidine kinase |
---|---|
ID: | DCK_HUMAN |
AC: | P27707 |
Organism: | Homo sapiens |
Reign: | Eukaryota |
TaxID: | 9606 |
EC Number: | 2.7.1.74 |
Chain Name: | Percentage of Residues within binding site |
---|---|
B | 100 % |
B-Factor: | 33.140 |
---|---|
Number of residues: | 27 |
Including | |
Standard Amino Acids: | 27 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 0 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
1.004 | 1201.500 |
% Hydrophobic | % Polar |
---|---|
46.91 | 53.09 |
According to VolSite |
HET Code: | LLT |
---|---|
Formula: | C10H14N2O5 |
Molecular weight: | 242.229 g/mol |
DrugBank ID: | DB01265 |
Buried Surface Area: | 58.76 % |
Polar Surface area: | 99.1 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 5 |
H-Bond Donors: | 3 |
Rings: | 2 |
Aromatic rings: | 0 |
Anionic atoms: | 0 |
Cationic atoms: | 0 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 2 |
X | Y | Z |
---|---|---|
11.9879 | 29.1461 | -3.86865 |
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 |
C5' | CG1 | ILE- 30 | 4.19 | 0 | Hydrophobic |
C7 | CG1 | VAL- 55 | 3.68 | 0 | Hydrophobic |
C3' | CD1 | LEU- 82 | 4.44 | 0 | Hydrophobic |
C3' | CZ | TYR- 86 | 4.33 | 0 | Hydrophobic |
C2' | CE2 | PHE- 96 | 4.05 | 0 | Hydrophobic |
O4 | NE2 | GLN- 97 | 2.65 | 174.83 | H-Bond (Protein Donor) |
N3 | OE1 | GLN- 97 | 2.55 | 151.92 | H-Bond (Ligand Donor) |
C7 | CE1 | PHE- 137 | 3.67 | 0 | Hydrophobic |
C1' | CE2 | PHE- 137 | 3.68 | 0 | Hydrophobic |