1.950 Å
X-ray
2013-04-23
Name: | Casein kinase I isoform delta |
---|---|
ID: | KC1D_HUMAN |
AC: | P48730 |
Organism: | Homo sapiens |
Reign: | Eukaryota |
TaxID: | 9606 |
EC Number: | 2.7.11.1 |
Chain Name: | Percentage of Residues within binding site |
---|---|
B | 100 % |
B-Factor: | 40.881 |
---|---|
Number of residues: | 28 |
Including | |
Standard Amino Acids: | 27 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 1 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
1.160 | 452.250 |
% Hydrophobic | % Polar |
---|---|
51.49 | 48.51 |
According to VolSite |
HET Code: | 1QO |
---|---|
Formula: | C16H14N4 |
Molecular weight: | 262.309 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 67.16 % |
Polar Surface area: | 50.7 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 4 |
H-Bond Donors: | 1 |
Rings: | 3 |
Aromatic rings: | 3 |
Anionic atoms: | 0 |
Cationic atoms: | 0 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 4 |
X | Y | Z |
---|---|---|
22.2579 | 23.8921 | -47.9372 |
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 |
C4 | CD1 | ILE- 15 | 4 | 0 | Hydrophobic |
C4 | CG2 | ILE- 23 | 4.15 | 0 | Hydrophobic |
C8 | CD1 | ILE- 23 | 4.3 | 0 | Hydrophobic |
C6 | CG2 | ILE- 23 | 4.06 | 0 | Hydrophobic |
C14 | CG1 | ILE- 23 | 4.25 | 0 | Hydrophobic |
C16 | CB | ALA- 36 | 3.73 | 0 | Hydrophobic |
C13 | CD | LYS- 38 | 4.34 | 0 | Hydrophobic |
C14 | CB | LYS- 38 | 3.67 | 0 | Hydrophobic |
C1 | CB | PRO- 66 | 3.89 | 0 | Hydrophobic |
C14 | CE | MET- 80 | 3.96 | 0 | Hydrophobic |
C16 | CB | MET- 82 | 3.32 | 0 | Hydrophobic |
C15 | CG | MET- 82 | 3.47 | 0 | Hydrophobic |
N1 | O | GLU- 83 | 3.14 | 163.39 | H-Bond (Ligand Donor) |
C1 | CD1 | LEU- 85 | 3.94 | 0 | Hydrophobic |
N2 | N | LEU- 85 | 3.16 | 153.44 | H-Bond (Protein Donor) |
C4 | CD2 | LEU- 135 | 3.8 | 0 | Hydrophobic |
C6 | CD2 | LEU- 135 | 3.98 | 0 | Hydrophobic |
C6 | CD1 | ILE- 148 | 4.3 | 0 | Hydrophobic |
C1 | CG2 | ILE- 148 | 4.34 | 0 | Hydrophobic |
C8 | CD1 | ILE- 148 | 4.43 | 0 | Hydrophobic |
N4 | O | HOH- 525 | 2.91 | 158.67 | H-Bond (Ligand Donor) |