2.000 Å
X-ray
2006-10-17
Name: | Serine/threonine-protein kinase 10 |
---|---|
ID: | STK10_HUMAN |
AC: | O94804 |
Organism: | Homo sapiens |
Reign: | Eukaryota |
TaxID: | 9606 |
EC Number: | 2.7.11.1 |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 40.092 |
---|---|
Number of residues: | 39 |
Including | |
Standard Amino Acids: | 37 |
Non Standard Amino Acids: | 1 |
Water Molecules: | 1 |
Cofactors: | |
Metals: | CA |
Ligandability | Volume (Å3) |
---|---|
0.977 | 934.875 |
% Hydrophobic | % Polar |
---|---|
55.96 | 44.04 |
According to VolSite |
HET Code: | 274 |
---|---|
Formula: | C28H31ClN5O4S |
Molecular weight: | 569.095 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 57.93 % |
Polar Surface area: | 115.39 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 4 |
H-Bond Donors: | 3 |
Rings: | 5 |
Aromatic rings: | 3 |
Anionic atoms: | 0 |
Cationic atoms: | 1 |
Rule of Five Violation: | 1 |
Rotatable Bonds: | 5 |
X | Y | Z |
---|---|---|
-5.8271 | 36.717 | 19.4606 |
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 |
C23 | CD2 | LEU- 42 | 4.19 | 0 | Hydrophobic |
C7 | CG2 | VAL- 50 | 4.02 | 0 | Hydrophobic |
C6 | CG1 | VAL- 50 | 4.24 | 0 | Hydrophobic |
C12 | CB | ALA- 63 | 3.74 | 0 | Hydrophobic |
C11 | CB | ALA- 63 | 3.83 | 0 | Hydrophobic |
C6 | CB | ALA- 63 | 4.22 | 0 | Hydrophobic |
CL1 | CD | LYS- 65 | 4.41 | 0 | Hydrophobic |
C4 | CB | LYS- 65 | 3.91 | 0 | Hydrophobic |
C5 | CG | LYS- 65 | 4.14 | 0 | Hydrophobic |
C2 | CD | LYS- 65 | 4.03 | 0 | Hydrophobic |
CL1 | CD2 | TYR- 78 | 4.17 | 0 | Hydrophobic |
CL1 | CG | GLU- 81 | 4.5 | 0 | Hydrophobic |
C11 | CG1 | VAL- 94 | 3.93 | 0 | Hydrophobic |
CL1 | CD1 | ILE- 108 | 3.78 | 0 | Hydrophobic |
C4 | CG2 | ILE- 108 | 3.92 | 0 | Hydrophobic |
C11 | CG2 | ILE- 110 | 3.67 | 0 | Hydrophobic |
C2 | CD1 | ILE- 110 | 3.5 | 0 | Hydrophobic |
C4 | CD1 | ILE- 110 | 3.4 | 0 | Hydrophobic |
N2 | O | GLU- 111 | 2.92 | 154.06 | H-Bond (Ligand Donor) |
C23 | CE1 | PHE- 112 | 4.06 | 0 | Hydrophobic |
O3 | N | CYS- 113 | 2.89 | 167.97 | H-Bond (Protein Donor) |
O4 | N | ALA- 117 | 2.97 | 170.27 | H-Bond (Protein Donor) |
C21 | CB | ALA- 117 | 4.39 | 0 | Hydrophobic |
C21 | CD2 | LEU- 164 | 4.38 | 0 | Hydrophobic |
C12 | CD1 | LEU- 164 | 3.32 | 0 | Hydrophobic |
C8 | CB | ALA- 174 | 4.05 | 0 | Hydrophobic |
O2 | N | ASP- 175 | 2.78 | 140.69 | H-Bond (Protein Donor) |
O2 | O | HOH- 2007 | 2.82 | 153.26 | H-Bond (Protein Donor) |