sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.030 Å
X-ray
2008-09-04
| Name: | Uncharacterized protein |
|---|---|
| ID: | Q6FPH0_CANGA |
| AC: | Q6FPH0 |
| Organism: | Candida glabrata |
| Reign: | Eukaryota |
| TaxID: | 284593 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 17.190 |
|---|---|
| Number of residues: | 34 |
| Including | |
| Standard Amino Acids: | 32 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 1 |
| Cofactors: | NDP |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.385 | 698.625 |
| % Hydrophobic | % Polar |
|---|---|
| 68.12 | 31.88 |
| According to VolSite | |
| HET Code: | 53S |
|---|---|
| Formula: | C23H24N4O |
| Molecular weight: | 372.463 g/mol |
| DrugBank ID: | DB07141 |
| Buried Surface Area: | 67.75 % |
| Polar Surface area: | 87.05 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 5 |
| H-Bond Donors: | 2 |
| Rings: | 3 |
| Aromatic rings: | 3 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 5 |
| X | Y | Z |
|---|---|---|
| 12.7451 | -6.07371 | -4.78707 |
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 |
| N9 | O | ILE- 9 | 2.91 | 162.66 | H-Bond (Ligand Donor) |
| C2 | CG | LEU- 25 | 3.73 | 0 | Hydrophobic |
| C8 | CD1 | LEU- 25 | 4.01 | 0 | Hydrophobic |
| C17 | CD1 | LEU- 25 | 4.28 | 0 | Hydrophobic |
| C16 | CG | LEU- 25 | 4.06 | 0 | Hydrophobic |
| N4 | OE1 | GLU- 32 | 2.65 | 164.92 | H-Bond (Ligand Donor) |
| N7 | OE2 | GLU- 32 | 2.8 | 172.62 | H-Bond (Ligand Donor) |
| C8 | CE | MET- 33 | 3.65 | 0 | Hydrophobic |
| C24 | CE | MET- 33 | 3.74 | 0 | Hydrophobic |
| C25 | CE | MET- 33 | 3.62 | 0 | Hydrophobic |
| C6 | CB | PHE- 36 | 4.41 | 0 | Hydrophobic |
| C13 | CZ | PHE- 36 | 4.28 | 0 | Hydrophobic |
| C11 | CZ | PHE- 36 | 4.18 | 0 | Hydrophobic |
| C10 | CE2 | PHE- 36 | 4 | 0 | Hydrophobic |
| C8 | CB | PHE- 36 | 4.22 | 0 | Hydrophobic |
| C15 | CG2 | THR- 58 | 4.4 | 0 | Hydrophobic |
| C13 | CG2 | THR- 58 | 3.88 | 0 | Hydrophobic |
| C2 | CB | SER- 61 | 3.86 | 0 | Hydrophobic |
| C16 | CB | SER- 61 | 4.46 | 0 | Hydrophobic |
| C13 | CD1 | ILE- 62 | 3.68 | 0 | Hydrophobic |
| C20 | CG2 | ILE- 62 | 3.79 | 0 | Hydrophobic |
| C19 | CG1 | ILE- 62 | 3.78 | 0 | Hydrophobic |
| C26 | CG | PRO- 63 | 4.27 | 0 | Hydrophobic |
| C23 | CG | PRO- 63 | 3.65 | 0 | Hydrophobic |
| C21 | CB | PHE- 66 | 4 | 0 | Hydrophobic |
| C26 | CE2 | PHE- 66 | 3.39 | 0 | Hydrophobic |
| C13 | CD1 | ILE- 121 | 3.26 | 0 | Hydrophobic |
| N9 | O | ILE- 121 | 3.23 | 133.56 | H-Bond (Ligand Donor) |
| C2 | C2D | NDP- 228 | 3.47 | 0 | Hydrophobic |
| C12 | C5N | NDP- 228 | 3.91 | 0 | Hydrophobic |
| C11 | C4N | NDP- 228 | 3.7 | 0 | Hydrophobic |
