sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.900 Å
X-ray
2001-12-15
| Name: | Chloramphenicol 3-O phosphotransferase |
|---|---|
| ID: | CPT_STRVP |
| AC: | Q56148 |
| Organism: | Streptomyces venezuelae |
| Reign: | Bacteria |
| TaxID: | 953739 |
| EC Number: | 2.7.1 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 37.199 |
|---|---|
| Number of residues: | 28 |
| Including | |
| Standard Amino Acids: | 27 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.508 | 847.125 |
| % Hydrophobic | % Polar |
|---|---|
| 48.61 | 51.39 |
| According to VolSite | |
| HET Code: | CLC |
|---|---|
| Formula: | C11H14N2O5 |
| Molecular weight: | 254.239 g/mol |
| DrugBank ID: | DB02608 |
| Buried Surface Area: | 65.64 % |
| Polar Surface area: | 115.38 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 5 |
| H-Bond Donors: | 3 |
| Rings: | 1 |
| Aromatic rings: | 1 |
| Anionic atoms: | 1 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 5 |
| X | Y | Z |
|---|---|---|
| 13.9121 | 52.4996 | 35.6089 |
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 |
| C21 | CB | SER- 12 | 4.2 | 0 | Hydrophobic |
| C3 | CG2 | VAL- 36 | 3.7 | 0 | Hydrophobic |
| O2 | OD2 | ASP- 37 | 3.13 | 129.89 | H-Bond (Ligand Donor) |
| O2 | OD1 | ASP- 37 | 3.06 | 154.76 | H-Bond (Ligand Donor) |
| C12 | CG1 | ILE- 40 | 4.48 | 0 | Hydrophobic |
| C3 | CD1 | ILE- 40 | 4.4 | 0 | Hydrophobic |
| C3 | CD1 | ILE- 54 | 3.68 | 0 | Hydrophobic |
| C12 | CZ | PHE- 56 | 4.21 | 0 | Hydrophobic |
| C50 | CE2 | PHE- 56 | 4.23 | 0 | Hydrophobic |
| C50 | CG2 | VAL- 62 | 3.88 | 0 | Hydrophobic |
| C2 | CG1 | VAL- 62 | 4.03 | 0 | Hydrophobic |
| C5 | CG1 | VAL- 62 | 4.36 | 0 | Hydrophobic |
| C21 | CG2 | VAL- 94 | 4.25 | 0 | Hydrophobic |
| C5 | CB | VAL- 94 | 3.74 | 0 | Hydrophobic |
| C6 | CG1 | VAL- 94 | 3.9 | 0 | Hydrophobic |
| C5 | CD1 | LEU- 96 | 3.56 | 0 | Hydrophobic |
| C21 | CE | MET- 140 | 4.29 | 0 | Hydrophobic |
| C50 | CE | MET- 140 | 3.61 | 0 | Hydrophobic |
| O4 | NE2 | GLN- 144 | 2.86 | 132.54 | H-Bond (Protein Donor) |
