2.190 Å
X-ray
2013-08-21
Name: | cAMP-dependent protein kinase catalytic subunit alpha |
---|---|
ID: | KAPCA_BOVIN |
AC: | P00517 |
Organism: | Bos taurus |
Reign: | Eukaryota |
TaxID: | 9913 |
EC Number: | 2.7.11.11 |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 34.439 |
---|---|
Number of residues: | 26 |
Including | |
Standard Amino Acids: | 25 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 1 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.511 | 459.000 |
% Hydrophobic | % Polar |
---|---|
44.85 | 55.15 |
According to VolSite |
HET Code: | NU3 |
---|---|
Formula: | C14H11N3O2 |
Molecular weight: | 253.256 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 76.34 % |
Polar Surface area: | 92 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 3 |
H-Bond Donors: | 3 |
Rings: | 3 |
Aromatic rings: | 3 |
Anionic atoms: | 0 |
Cationic atoms: | 0 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 2 |
X | Y | Z |
---|---|---|
9.64384 | 86.7589 | 85.0534 |
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 |
C2 | CD1 | LEU- 49 | 3.94 | 0 | Hydrophobic |
C3 | CB | LEU- 49 | 4.02 | 0 | Hydrophobic |
C4 | CG1 | VAL- 57 | 3.74 | 0 | Hydrophobic |
C1 | CB | ALA- 70 | 3.74 | 0 | Hydrophobic |
C11 | CD | LYS- 72 | 3.85 | 0 | Hydrophobic |
O1 | OE2 | GLU- 91 | 2.57 | 136.64 | H-Bond (Ligand Donor) |
C9 | CD2 | LEU- 95 | 3.69 | 0 | Hydrophobic |
C9 | CG1 | VAL- 104 | 3.81 | 0 | Hydrophobic |
C10 | CE | MET- 118 | 4.18 | 0 | Hydrophobic |
C9 | CD2 | LEU- 120 | 3.74 | 0 | Hydrophobic |
C8 | CD1 | LEU- 120 | 3.7 | 0 | Hydrophobic |
N | O | GLU- 121 | 2.94 | 156.05 | H-Bond (Ligand Donor) |
O | N | LEU- 123 | 2.95 | 162.12 | H-Bond (Protein Donor) |
C1 | SD | MET- 173 | 3.61 | 0 | Hydrophobic |
C5 | SD | MET- 173 | 4.31 | 0 | Hydrophobic |
C2 | CE | MET- 173 | 3.62 | 0 | Hydrophobic |
C8 | CB | THR- 183 | 3.78 | 0 | Hydrophobic |
C11 | CB | ASP- 184 | 4.18 | 0 | Hydrophobic |
O1 | N | PHE- 185 | 3.1 | 170.92 | H-Bond (Protein Donor) |