2.500 Å
X-ray
2012-04-02
Name: | Mitogen-activated protein kinase 14 |
---|---|
ID: | MK14_HUMAN |
AC: | Q16539 |
Organism: | Homo sapiens |
Reign: | Eukaryota |
TaxID: | 9606 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 39.879 |
---|---|
Number of residues: | 23 |
Including | |
Standard Amino Acids: | 23 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 0 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
1.480 | 347.625 |
% Hydrophobic | % Polar |
---|---|
72.82 | 27.18 |
According to VolSite |
HET Code: | IRG |
---|---|
Formula: | C17H16N4 |
Molecular weight: | 276.336 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 73.68 % |
Polar Surface area: | 63.83 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 4 |
H-Bond Donors: | 2 |
Rings: | 4 |
Aromatic rings: | 3 |
Anionic atoms: | 0 |
Cationic atoms: | 0 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 3 |
X | Y | Z |
---|---|---|
-23.921 | -15.91 | 9.87405 |
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 |
CAJ | CB | PRO- 191 | 3.83 | 0 | Hydrophobic |
C5 | CB | GLU- 192 | 3.91 | 0 | Hydrophobic |
CAE | CB | LEU- 195 | 3.53 | 0 | Hydrophobic |
CAK | CD1 | LEU- 195 | 3.34 | 0 | Hydrophobic |
CAI | CH2 | TRP- 197 | 3.36 | 0 | Hydrophobic |
CAP | CB | TRP- 197 | 3.7 | 0 | Hydrophobic |
CAH | CD1 | LEU- 246 | 3.27 | 0 | Hydrophobic |
CAU | CD2 | LEU- 246 | 3.58 | 0 | Hydrophobic |
CAI | CB | LYS- 249 | 4.17 | 0 | Hydrophobic |
CAK | CD1 | ILE- 250 | 4.25 | 0 | Hydrophobic |
CAF | CG2 | ILE- 250 | 3.98 | 0 | Hydrophobic |
CAB | CB | SER- 252 | 3.5 | 0 | Hydrophobic |
CAC | CB | ALA- 255 | 3.74 | 0 | Hydrophobic |
CAK | CD1 | ILE- 259 | 4.29 | 0 | Hydrophobic |
CAJ | CG | LEU- 291 | 3.8 | 0 | Hydrophobic |
CAG | CB | ASP- 292 | 4.44 | 0 | Hydrophobic |
CAG | CB | SER- 293 | 4.24 | 0 | Hydrophobic |
NAA | OD1 | ASP- 294 | 3.15 | 126.11 | H-Bond (Ligand Donor) |
NAA | OD2 | ASP- 294 | 3.25 | 125.47 | H-Bond (Ligand Donor) |