2.050 Å
X-ray
2009-07-23
Name: | Purine nucleoside phosphorylase |
---|---|
ID: | Q9BMI9_SCHMA |
AC: | Q9BMI9 |
Organism: | Schistosoma mansoni |
Reign: | Eukaryota |
TaxID: | 6183 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 97 % |
B | 3 % |
B-Factor: | 29.052 |
---|---|
Number of residues: | 35 |
Including | |
Standard Amino Acids: | 34 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 1 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.811 | 617.625 |
% Hydrophobic | % Polar |
---|---|
39.89 | 60.11 |
According to VolSite |
HET Code: | GMP |
---|---|
Formula: | C10H13N5O5 |
Molecular weight: | 283.241 g/mol |
DrugBank ID: | DB02857 |
Buried Surface Area: | 82.16 % |
Polar Surface area: | 155.22 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 8 |
H-Bond Donors: | 5 |
Rings: | 3 |
Aromatic rings: | 1 |
Anionic atoms: | 0 |
Cationic atoms: | 0 |
Rule of Five Violation: | 0 |
Rotatable Bonds: | 2 |
X | Y | Z |
---|---|---|
-18.7356 | 2.08285 | -29.6333 |
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 |
C3' | CE2 | TYR- 90 | 4.17 | 0 | Hydrophobic |
O3' | OH | TYR- 90 | 2.93 | 134.27 | H-Bond (Protein Donor) |
C1' | CB | ALA- 118 | 3.82 | 0 | Hydrophobic |
C5' | CD1 | PHE- 161 | 3.57 | 0 | Hydrophobic |
C4' | CZ | PHE- 161 | 3.81 | 0 | Hydrophobic |
C3' | CE1 | PHE- 161 | 3.55 | 0 | Hydrophobic |
C5' | CZ | TYR- 202 | 3.73 | 0 | Hydrophobic |
N1 | OE2 | GLU- 203 | 3.26 | 124.54 | H-Bond (Ligand Donor) |
N1 | OE1 | GLU- 203 | 2.7 | 160.29 | H-Bond (Ligand Donor) |
N2 | OE2 | GLU- 203 | 2.52 | 166.01 | H-Bond (Ligand Donor) |
C3' | SD | MET- 221 | 3.62 | 0 | Hydrophobic |
C2' | CG | MET- 221 | 3.67 | 0 | Hydrophobic |
O2' | N | MET- 221 | 2.89 | 147.7 | H-Bond (Protein Donor) |
O6 | ND2 | ASN- 245 | 2.9 | 165 | H-Bond (Protein Donor) |
O5' | ND1 | HIS- 259 | 2.75 | 149.65 | H-Bond (Protein Donor) |