2.000 Å
X-ray
2012-03-27
Name: | Hematopoietic prostaglandin D synthase |
---|---|
ID: | HPGDS_HUMAN |
AC: | O60760 |
Organism: | Homo sapiens |
Reign: | Eukaryota |
TaxID: | 9606 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 26.954 |
---|---|
Number of residues: | 33 |
Including | |
Standard Amino Acids: | 28 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 5 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.590 | 614.250 |
% Hydrophobic | % Polar |
---|---|
54.40 | 45.60 |
According to VolSite |
HET Code: | 0O5 |
---|---|
Formula: | C23H26N3O2 |
Molecular weight: | 376.471 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 58.35 % |
Polar Surface area: | 55.66 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 3 |
H-Bond Donors: | 2 |
Rings: | 4 |
Aromatic rings: | 3 |
Anionic atoms: | 0 |
Cationic atoms: | 1 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 5 |
X | Y | Z |
---|---|---|
32.4003 | 12.9959 | -24.484 |
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 |
C25 | CD2 | PHE- 9 | 3.88 | 0 | Hydrophobic |
C16 | CE | MET- 11 | 3.27 | 0 | Hydrophobic |
C15 | CG | ARG- 14 | 4.3 | 0 | Hydrophobic |
C7 | CG | ARG- 14 | 3.83 | 0 | Hydrophobic |
C24 | CG | GLN- 36 | 4.32 | 0 | Hydrophobic |
C1 | CE | MET- 99 | 4.43 | 0 | Hydrophobic |
C8 | CG | MET- 99 | 3.86 | 0 | Hydrophobic |
C3 | CE | MET- 99 | 3.84 | 0 | Hydrophobic |
C10 | CB | MET- 99 | 3.34 | 0 | Hydrophobic |
C17 | CE3 | TRP- 104 | 3.15 | 0 | Hydrophobic |
C13 | CB | TRP- 104 | 3.62 | 0 | Hydrophobic |
C1 | CG2 | ILE- 155 | 3.43 | 0 | Hydrophobic |
C3 | SG | CYS- 156 | 4.2 | 0 | Hydrophobic |
C17 | CD1 | LEU- 199 | 3.96 | 0 | Hydrophobic |
O19 | O | HOH- 378 | 2.6 | 126.71 | H-Bond (Protein Donor) |