1.750 Å
X-ray
2011-03-25
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: | 16.317 |
---|---|
Number of residues: | 30 |
Including | |
Standard Amino Acids: | 30 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 0 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.914 | 918.000 |
% Hydrophobic | % Polar |
---|---|
47.06 | 52.94 |
According to VolSite |
HET Code: | Z68 |
---|---|
Formula: | C16H18N4O3S |
Molecular weight: | 346.404 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 68.46 % |
Polar Surface area: | 142.07 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 6 |
H-Bond Donors: | 2 |
Rings: | 3 |
Aromatic rings: | 2 |
Anionic atoms: | 1 |
Cationic atoms: | 1 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 5 |
X | Y | Z |
---|---|---|
92.4287 | 80.0799 | -47.7339 |
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 |
S1 | CD1 | ILE- 10 | 4.11 | 0 | Hydrophobic |
C11 | CD1 | ILE- 10 | 4.2 | 0 | Hydrophobic |
C3 | CG1 | VAL- 18 | 4.04 | 0 | Hydrophobic |
O3 | NZ | LYS- 33 | 2.7 | 151.28 | H-Bond (Protein Donor) |
DuAr | NZ | LYS- 33 | 3.91 | 141.41 | Pi/Cation |
N4 | O | GLU- 81 | 2.94 | 152.65 | H-Bond (Ligand Donor) |
C11 | CE2 | PHE- 82 | 4.16 | 0 | Hydrophobic |
C16 | CZ | PHE- 82 | 3.65 | 0 | Hydrophobic |
N2 | N | LEU- 83 | 3.44 | 176.07 | H-Bond (Protein Donor) |
C13 | CB | ASP- 86 | 4.14 | 0 | Hydrophobic |
C14 | CD | LYS- 89 | 3.91 | 0 | Hydrophobic |
C1 | CG | GLN- 131 | 3.65 | 0 | Hydrophobic |
C6 | CB | ASN- 132 | 3.8 | 0 | Hydrophobic |
S1 | CD1 | LEU- 134 | 3.75 | 0 | Hydrophobic |
C12 | CD1 | LEU- 134 | 3.75 | 0 | Hydrophobic |
C5 | CB | ALA- 144 | 4.38 | 0 | Hydrophobic |