1.250 Å
X-ray
2013-02-09
Name: | O-acetyl-ADP-ribose deacetylase 1 |
---|---|
ID: | OARD1_HUMAN |
AC: | Q9Y530 |
Organism: | Homo sapiens |
Reign: | Eukaryota |
TaxID: | 9606 |
EC Number: | 3.5.1 |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 9.217 |
---|---|
Number of residues: | 39 |
Including | |
Standard Amino Acids: | 36 |
Non Standard Amino Acids: | 1 |
Water Molecules: | 2 |
Cofactors: | |
Metals: | CL |
Ligandability | Volume (Å3) |
---|---|
0.227 | 411.750 |
% Hydrophobic | % Polar |
---|---|
40.16 | 59.84 |
According to VolSite |
HET Code: | A1R |
---|---|
Formula: | C15H23N6O12P2 |
Molecular weight: | 541.324 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 54.25 % |
Polar Surface area: | 303.95 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 16 |
H-Bond Donors: | 6 |
Rings: | 4 |
Aromatic rings: | 2 |
Anionic atoms: | 2 |
Cationic atoms: | 1 |
Rule of Five Violation: | 3 |
Rotatable Bonds: | 9 |
X | Y | Z |
---|---|---|
3.92786 | 68.5466 | 9.30054 |
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 |
C5N | CB | CYS- 33 | 4.36 | 0 | Hydrophobic |
C2N | CG2 | ILE- 34 | 4.36 | 0 | Hydrophobic |
O1A | N | ILE- 44 | 2.85 | 172.05 | H-Bond (Protein Donor) |
C2N | CB | ALA- 45 | 3.62 | 0 | Hydrophobic |
O3N | NZ | LYS- 84 | 3.04 | 131.52 | H-Bond (Protein Donor) |
C4' | CB | PRO- 118 | 4.04 | 0 | Hydrophobic |
C3' | CB | ARG- 119 | 4.5 | 0 | Hydrophobic |
O2B | N | GLY- 121 | 2.85 | 142.63 | H-Bond (Protein Donor) |
O1B | N | GLY- 123 | 2.84 | 140.47 | H-Bond (Protein Donor) |
O2A | N | LEU- 124 | 2.84 | 169.02 | H-Bond (Protein Donor) |
O1B | N | ASP- 125 | 2.99 | 165.79 | H-Bond (Protein Donor) |
C5N | CB | ASP- 125 | 4.41 | 0 | Hydrophobic |
O3' | O | HOH- 313 | 3.06 | 154.61 | H-Bond (Ligand Donor) |