2.700 Å
X-ray
2006-09-19
Name: | Kinesin-like protein KIF11 |
---|---|
ID: | KIF11_HUMAN |
AC: | P52732 |
Organism: | Homo sapiens |
Reign: | Eukaryota |
TaxID: | 9606 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
B | 100 % |
B-Factor: | 20.277 |
---|---|
Number of residues: | 31 |
Including | |
Standard Amino Acids: | 31 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 0 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.846 | 357.750 |
% Hydrophobic | % Polar |
---|---|
59.43 | 40.57 |
According to VolSite |
HET Code: | MOY |
---|---|
Formula: | C19H18N2O2S |
Molecular weight: | 338.423 g/mol |
DrugBank ID: | DB08198 |
Buried Surface Area: | 66.19 % |
Polar Surface area: | 84.66 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 3 |
H-Bond Donors: | 2 |
Rings: | 3 |
Aromatic rings: | 2 |
Anionic atoms: | 0 |
Cationic atoms: | 0 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 3 |
X | Y | Z |
---|---|---|
40.5601 | 15.283 | 49.8823 |
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 | CB | GLU- 116 | 4.37 | 0 | Hydrophobic |
C18 | CG | GLU- 116 | 3.7 | 0 | Hydrophobic |
N1 | O | GLY- 117 | 2.63 | 131.83 | H-Bond (Ligand Donor) |
O4 | O | GLU- 118 | 2.56 | 141.4 | H-Bond (Ligand Donor) |
O4 | NE | ARG- 119 | 3.4 | 134.77 | H-Bond (Protein Donor) |
C5 | CG | ARG- 119 | 3.96 | 0 | Hydrophobic |
C26 | CD | ARG- 119 | 3.29 | 0 | Hydrophobic |
C28 | CB | TRP- 127 | 3.76 | 0 | Hydrophobic |
C26 | CB | ASP- 130 | 4.46 | 0 | Hydrophobic |
C26 | CB | ALA- 133 | 3.56 | 0 | Hydrophobic |
C27 | CG | PRO- 137 | 4.4 | 0 | Hydrophobic |
C28 | CB | PRO- 137 | 3.96 | 0 | Hydrophobic |
C29 | CG | PRO- 137 | 4.14 | 0 | Hydrophobic |
C21 | CD2 | LEU- 160 | 3.87 | 0 | Hydrophobic |
C5 | CZ | TYR- 211 | 3.76 | 0 | Hydrophobic |
C28 | CE1 | TYR- 211 | 3.37 | 0 | Hydrophobic |
C6 | CB | LEU- 214 | 3.79 | 0 | Hydrophobic |
C18 | CB | LEU- 214 | 4.29 | 0 | Hydrophobic |
C29 | CD1 | LEU- 214 | 4.32 | 0 | Hydrophobic |
C19 | CD2 | LEU- 214 | 3.91 | 0 | Hydrophobic |
C6 | CB | ALA- 218 | 3.98 | 0 | Hydrophobic |
C22 | CB | ALA- 218 | 4.12 | 0 | Hydrophobic |