2.600 Å
X-ray
2009-02-28
| Name: | Hypoxanthine-guanine phosphoribosyltransferase |
|---|---|
| ID: | HPRT_HUMAN |
| AC: | P00492 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | 2.4.2.8 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| B | 100 % |
| B-Factor: | 21.691 |
|---|---|
| Number of residues: | 22 |
| Including | |
| Standard Amino Acids: | 21 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.916 | 904.500 |
| % Hydrophobic | % Polar |
|---|---|
| 42.54 | 57.46 |
| According to VolSite | |

| HET Code: | 25H |
|---|---|
| Formula: | C9H12N5O5P |
| Molecular weight: | 301.196 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 61.71 % |
| Polar Surface area: | 167.53 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 8 |
| H-Bond Donors: | 2 |
| Rings: | 2 |
| Aromatic rings: | 1 |
| Anionic atoms: | 2 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 6 |
| X | Y | Z |
|---|---|---|
| 17.1617 | 14.1356 | 17.7902 |
Image generated by PoseView
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 |
| CAJ | CG2 | ILE- 135 | 4.41 | 0 | Hydrophobic |
| CAG | CG2 | ILE- 135 | 4.34 | 0 | Hydrophobic |
| OAC | N | ASP- 137 | 3 | 158.75 | H-Bond (Protein Donor) |
| CAJ | CB | ASP- 137 | 4.28 | 0 | Hydrophobic |
| OAD | OG1 | THR- 138 | 3.14 | 147.1 | H-Bond (Protein Donor) |
| OAD | N | THR- 138 | 3.09 | 153.25 | H-Bond (Protein Donor) |
| OAC | N | GLY- 139 | 2.74 | 153.82 | H-Bond (Protein Donor) |
| OAE | N | THR- 141 | 3.04 | 152.75 | H-Bond (Protein Donor) |
| N1 | O | VAL- 187 | 2.65 | 160 | H-Bond (Ligand Donor) |
| N2 | O | VAL- 187 | 3.12 | 132.29 | H-Bond (Ligand Donor) |
| O6 | N | VAL- 187 | 3 | 173.55 | H-Bond (Protein Donor) |
| OAC | O | HOH- 219 | 2.79 | 179.94 | H-Bond (Protein Donor) |