sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
3.000 Å
X-ray
2002-09-18
| Name: | Streptogramin A acetyltransferase |
|---|---|
| ID: | VATD_ENTFC |
| AC: | P50870 |
| Organism: | Enterococcus faecium |
| Reign: | Bacteria |
| TaxID: | 1352 |
| EC Number: | 2.3.1 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| B | 44 % |
| C | 56 % |
| B-Factor: | 65.940 |
|---|---|
| Number of residues: | 41 |
| Including | |
| Standard Amino Acids: | 41 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.371 | 1505.250 |
| % Hydrophobic | % Polar |
|---|---|
| 60.76 | 39.24 |
| According to VolSite | |
| HET Code: | ACO |
|---|---|
| Formula: | C23H34N7O17P3S |
| Molecular weight: | 805.539 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 48.72 % |
| Polar Surface area: | 429.68 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 22 |
| H-Bond Donors: | 5 |
| Rings: | 3 |
| Aromatic rings: | 2 |
| Anionic atoms: | 4 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 2 |
| Rotatable Bonds: | 20 |
| X | Y | Z |
|---|---|---|
| 30.5365 | 72.4158 | 41.3154 |
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 |
| C2P | CZ | TYR- 52 | 3.38 | 0 | Hydrophobic |
| C6P | CB | ALA- 80 | 4.26 | 0 | Hydrophobic |
| CDP | SD | MET- 84 | 3.93 | 0 | Hydrophobic |
| O1A | NZ | LYS- 111 | 3.91 | 0 | Ionic (Protein Cationic) |
| CDP | CZ3 | TRP- 121 | 3.58 | 0 | Hydrophobic |
| CEP | CZ3 | TRP- 121 | 4.38 | 0 | Hydrophobic |
| C6P | CZ2 | TRP- 121 | 3.4 | 0 | Hydrophobic |
| CAP | CE | MET- 129 | 4.08 | 0 | Hydrophobic |
| CEP | CG2 | ILE- 139 | 3.64 | 0 | Hydrophobic |
| CEP | CB | ALA- 141 | 4.22 | 0 | Hydrophobic |
| CAP | CB | ALA- 141 | 4.46 | 0 | Hydrophobic |
| O9P | N | ALA- 142 | 2.66 | 155 | H-Bond (Protein Donor) |
| C2B | CG2 | VAL- 147 | 4.03 | 0 | Hydrophobic |
| CEP | CD1 | LEU- 155 | 3.49 | 0 | Hydrophobic |
| C1B | CD1 | ILE- 164 | 3.93 | 0 | Hydrophobic |
| C4B | CG2 | ILE- 164 | 3.72 | 0 | Hydrophobic |
