2.210 Å
X-ray
2010-08-13
Name: | cAMP-dependent protein kinase regulatory subunit |
---|---|
ID: | KAPR_YEAST |
AC: | P07278 |
Organism: | Saccharomyces cerevisiae |
Reign: | Eukaryota |
TaxID: | 559292 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 48.929 |
---|---|
Number of residues: | 29 |
Including | |
Standard Amino Acids: | 29 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 0 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.669 | 543.375 |
% Hydrophobic | % Polar |
---|---|
56.52 | 43.48 |
According to VolSite |
HET Code: | CMP |
---|---|
Formula: | C10H11N5O6P |
Molecular weight: | 328.198 g/mol |
DrugBank ID: | DB02527 |
Buried Surface Area: | 74.95 % |
Polar Surface area: | 167.48 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 10 |
H-Bond Donors: | 2 |
Rings: | 4 |
Aromatic rings: | 2 |
Anionic atoms: | 1 |
Cationic atoms: | 0 |
Rule of Five Violation: | 1 |
Rotatable Bonds: | 1 |
X | Y | Z |
---|---|---|
-53.6769 | 18.0845 | -27.5375 |
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 |
C5' | CD1 | ILE- 212 | 3.32 | 0 | Hydrophobic |
C4' | CE1 | PHE- 231 | 4.48 | 0 | Hydrophobic |
C1' | CE1 | PHE- 231 | 3.65 | 0 | Hydrophobic |
N7 | ND2 | ASN- 239 | 3.1 | 145.25 | H-Bond (Protein Donor) |
C4' | CB | PHE- 247 | 4.47 | 0 | Hydrophobic |
C1' | CB | PHE- 247 | 4.18 | 0 | Hydrophobic |
O1P | O | GLY- 248 | 3.43 | 132.2 | H-Bond (Ligand Donor) |
O2' | N | GLY- 248 | 3.08 | 130.36 | H-Bond (Protein Donor) |
C3' | CD1 | LEU- 250 | 3.7 | 0 | Hydrophobic |
O1P | N | ALA- 251 | 2.94 | 158.63 | H-Bond (Protein Donor) |
O1P | NH1 | ARG- 258 | 2.6 | 147.25 | H-Bond (Protein Donor) |
O2P | N | ALA- 259 | 2.89 | 167.09 | H-Bond (Protein Donor) |
C5' | CB | ALA- 260 | 4.01 | 0 | Hydrophobic |
C5' | CG2 | VAL- 262 | 4.02 | 0 | Hydrophobic |