2.000 Å
X-ray
2008-05-15
Name: | Cyclin-dependent kinase 2 |
---|---|
ID: | CDK2_HUMAN |
AC: | P24941 |
Organism: | Homo sapiens |
Reign: | Eukaryota |
TaxID: | 9606 |
EC Number: | 2.7.11.22 |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 28.721 |
---|---|
Number of residues: | 21 |
Including | |
Standard Amino Acids: | 21 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 0 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.555 | 435.375 |
% Hydrophobic | % Polar |
---|---|
45.74 | 54.26 |
According to VolSite |
HET Code: | LZ5 |
---|---|
Formula: | C10H9N3O |
Molecular weight: | 187.198 g/mol |
DrugBank ID: | DB08135 |
Buried Surface Area: | 66.82 % |
Polar Surface area: | 57.78 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 2 |
H-Bond Donors: | 2 |
Rings: | 2 |
Aromatic rings: | 2 |
Anionic atoms: | 0 |
Cationic atoms: | 0 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 2 |
X | Y | Z |
---|---|---|
29.3531 | 6.62057 | 65.0869 |
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 |
C9 | CG2 | ILE- 10 | 3.96 | 0 | Hydrophobic |
N3 | O | LEU- 83 | 2.73 | 128.36 | H-Bond (Ligand Donor) |
N15 | N | LEU- 83 | 3.02 | 170.82 | H-Bond (Protein Donor) |
C6 | CB | ASP- 86 | 4.36 | 0 | Hydrophobic |
C5 | CD2 | LEU- 134 | 4.1 | 0 | Hydrophobic |