3.000 Å
X-ray
2005-07-05
Name: | GMP reductase 2 |
---|---|
ID: | GMPR2_HUMAN |
AC: | Q9P2T1 |
Organism: | Homo sapiens |
Reign: | Eukaryota |
TaxID: | 9606 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 3 % |
C | 97 % |
B-Factor: | 59.200 |
---|---|
Number of residues: | 36 |
Including | |
Standard Amino Acids: | 36 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 0 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.860 | 857.250 |
% Hydrophobic | % Polar |
---|---|
35.43 | 64.57 |
According to VolSite |
HET Code: | 5GP |
---|---|
Formula: | C10H12N5O8P |
Molecular weight: | 361.205 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 59.65 % |
Polar Surface area: | 217.22 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 11 |
H-Bond Donors: | 4 |
Rings: | 3 |
Aromatic rings: | 1 |
Anionic atoms: | 2 |
Cationic atoms: | 0 |
Rule of Five Violation: | 1 |
Rotatable Bonds: | 4 |
X | Y | Z |
---|---|---|
55.89 | 25.7872 | 29.8751 |
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' | CB | ALA- 53 | 4.49 | 0 | Hydrophobic |
C3' | CB | ALA- 53 | 4.19 | 0 | Hydrophobic |
C5' | CE | MET- 55 | 3.73 | 0 | Hydrophobic |
O3P | N | SER- 184 | 3.31 | 137.67 | H-Bond (Protein Donor) |
C1' | CB | CYS- 186 | 4.47 | 0 | Hydrophobic |
O3' | OD2 | ASP- 219 | 3 | 155.37 | H-Bond (Ligand Donor) |
O3P | N | GLY- 221 | 3.07 | 158.39 | H-Bond (Protein Donor) |
O1P | N | GLY- 242 | 2.66 | 141.26 | H-Bond (Protein Donor) |
O1P | N | GLY- 243 | 3.15 | 132.49 | H-Bond (Protein Donor) |
C2' | SD | MET- 269 | 4.33 | 0 | Hydrophobic |
N7 | N | MET- 269 | 2.88 | 150.65 | H-Bond (Protein Donor) |
O6 | N | MET- 269 | 3.31 | 122.24 | H-Bond (Protein Donor) |
O6 | N | SER- 270 | 3.27 | 161.41 | H-Bond (Protein Donor) |