3.000 Å
X-ray
2008-03-06
Name: | Mitogen-activated protein kinase 10 |
---|---|
ID: | MK10_HUMAN |
AC: | P53779 |
Organism: | Homo sapiens |
Reign: | Eukaryota |
TaxID: | 9606 |
EC Number: | 2.7.11.24 |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 34.255 |
---|---|
Number of residues: | 24 |
Including | |
Standard Amino Acids: | 24 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 0 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
1.503 | 1353.375 |
% Hydrophobic | % Polar |
---|---|
50.62 | 49.38 |
According to VolSite |
HET Code: | JNO |
---|---|
Formula: | C19H25N7O |
Molecular weight: | 367.448 g/mol |
DrugBank ID: | DB08026 |
Buried Surface Area: | 56.21 % |
Polar Surface area: | 89.9 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 4 |
H-Bond Donors: | 4 |
Rings: | 4 |
Aromatic rings: | 3 |
Anionic atoms: | 0 |
Cationic atoms: | 2 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 5 |
X | Y | Z |
---|---|---|
23.36 | 8.27822 | 31.1759 |
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 |
C09 | CD1 | ILE- 70 | 3.77 | 0 | Hydrophobic |
C10 | CB | ILE- 70 | 3.91 | 0 | Hydrophobic |
C16 | CB | ALA- 91 | 3.97 | 0 | Hydrophobic |
C16 | SD | MET- 146 | 3.77 | 0 | Hydrophobic |
N12 | O | MET- 149 | 3.18 | 158.8 | H-Bond (Ligand Donor) |
N18 | N | MET- 149 | 3.01 | 161.42 | H-Bond (Protein Donor) |
C08 | CG1 | VAL- 196 | 4.05 | 0 | Hydrophobic |
C16 | CD2 | LEU- 206 | 4.14 | 0 | Hydrophobic |