2.150 Å
X-ray
2011-03-18
Name: | 2',3'-cyclic-nucleotide 3'-phosphodiesterase |
---|---|
ID: | CN37_MOUSE |
AC: | P16330 |
Organism: | Mus musculus |
Reign: | Eukaryota |
TaxID: | 10090 |
EC Number: | 3.1.4.37 |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 31.834 |
---|---|
Number of residues: | 23 |
Including | |
Standard Amino Acids: | 19 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 4 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.196 | 526.500 |
% Hydrophobic | % Polar |
---|---|
43.59 | 56.41 |
According to VolSite |
HET Code: | NAP |
---|---|
Formula: | C21H25N7O17P3 |
Molecular weight: | 740.381 g/mol |
DrugBank ID: | DB03461 |
Buried Surface Area: | 40.3 % |
Polar Surface area: | 405.54 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 21 |
H-Bond Donors: | 5 |
Rings: | 5 |
Aromatic rings: | 3 |
Anionic atoms: | 4 |
Cationic atoms: | 1 |
Rule of Five Violation: | 2 |
Rotatable Bonds: | 13 |
X | Y | Z |
---|---|---|
-7.2723 | 4.47204 | -25.1832 |
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 |
C1B | CD2 | TYR- 168 | 4.17 | 0 | Hydrophobic |
C4B | CE2 | TYR- 168 | 3.67 | 0 | Hydrophobic |
O2B | NE2 | HIS- 230 | 3.37 | 155.64 | H-Bond (Protein Donor) |
O3X | NE2 | HIS- 230 | 3.47 | 120.88 | H-Bond (Protein Donor) |
O3X | OG1 | THR- 232 | 3.19 | 161.07 | H-Bond (Protein Donor) |
C1B | CD1 | PHE- 235 | 4.14 | 0 | Hydrophobic |
DuAr | DuAr | PHE- 235 | 3.72 | 0 | Aromatic Face/Face |
O1X | OG1 | THR- 311 | 2.62 | 155.78 | H-Bond (Protein Donor) |
C3B | CG | PRO- 320 | 3.69 | 0 | Hydrophobic |
O3X | O | HOH- 2014 | 2.71 | 179.96 | H-Bond (Protein Donor) |