sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.750 Å
X-ray
2011-08-16
| Name: | N-alpha-acetyltransferase 50 |
|---|---|
| ID: | NAA50_HUMAN |
| AC: | Q9GZZ1 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | 2.3.1 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 57.057 |
|---|---|
| Number of residues: | 24 |
| Including | |
| Standard Amino Acids: | 22 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 1 |
| Cofactors: | COA |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.821 | 442.125 |
| % Hydrophobic | % Polar |
|---|---|
| 38.93 | 61.07 |
| According to VolSite | |
| HET Code: | MET_LEU_GLY_PRO |
|---|---|
| Formula: | C18H33N4O4S |
| Molecular weight: | 401.544 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 50.6 % |
| Polar Surface area: | 148.51 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 5 |
| H-Bond Donors: | 3 |
| Rings: | 1 |
| Aromatic rings: | 0 |
| Anionic atoms: | 0 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 11 |
| X | Y | Z |
|---|---|---|
| -10.432 | -34.3419 | -14.7444 |
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 |
| SD | CD1 | PHE- 27 | 3.9 | 0 | Hydrophobic |
| CG | CD1 | PHE- 27 | 4.27 | 0 | Hydrophobic |
| SD | CG | PRO- 28 | 3.66 | 0 | Hydrophobic |
| CG | CG2 | VAL- 29 | 4.41 | 0 | Hydrophobic |
| SD | CG1 | VAL- 29 | 4.1 | 0 | Hydrophobic |
| O | OH | TYR- 31 | 2.79 | 129.18 | H-Bond (Protein Donor) |
| CD2 | CE1 | TYR- 31 | 4.09 | 0 | Hydrophobic |
| CB | CE2 | TYR- 73 | 3.78 | 0 | Hydrophobic |
| N | O | MET- 75 | 3.25 | 150.39 | H-Bond (Ligand Donor) |
| CB | CB | MET- 75 | 4.49 | 0 | Hydrophobic |
| CD2 | CE | MET- 75 | 3.26 | 0 | Hydrophobic |
| N | O | HIS- 112 | 2.64 | 150.24 | H-Bond (Ligand Donor) |
| CE | CG | GLN- 114 | 4.22 | 0 | Hydrophobic |
| O | OH | TYR- 139 | 3.08 | 143.59 | H-Bond (Protein Donor) |
| CE | CZ | TYR- 139 | 4.18 | 0 | Hydrophobic |
| CB | S1P | COA- 201 | 3.84 | 0 | Hydrophobic |
| N | O | HOH- 205 | 2.66 | 144.72 | H-Bond (Ligand Donor) |
