sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
Å
NMR
2006-02-13
| Name: | Neocarzinostatin |
|---|---|
| ID: | NCZS_STRCZ |
| AC: | P0A3R9 |
| Organism: | Streptomyces carzinostaticus |
| Reign: | Bacteria |
| TaxID: | 1897 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 0.000 |
|---|---|
| Number of residues: | 22 |
| Including | |
| Standard Amino Acids: | 22 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.464 | 286.875 |
| % Hydrophobic | % Polar |
|---|---|
| 52.94 | 47.06 |
| According to VolSite | |
| HET Code: | FLN |
|---|---|
| Formula: | C15H10O2 |
| Molecular weight: | 222.239 g/mol |
| DrugBank ID: | DB07776 |
| Buried Surface Area: | 58.63 % |
| Polar Surface area: | 26.3 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 2 |
| H-Bond Donors: | 0 |
| Rings: | 3 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 1 |
| X | Y | Z |
|---|---|---|
| 3.78171 | 5.53994 | 3.96876 |
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 |
| C6' | CB | CYS- 37 | 3.71 | 0 | Hydrophobic |
| C4A | CB | LEU- 45 | 4.34 | 0 | Hydrophobic |
| C5' | CD2 | LEU- 45 | 4.2 | 0 | Hydrophobic |
| C8 | CD1 | LEU- 45 | 4.24 | 0 | Hydrophobic |
| C6' | CB | LEU- 45 | 3.69 | 0 | Hydrophobic |
| O4 | N | CYS- 47 | 3.47 | 125.62 | H-Bond (Protein Donor) |
| C5 | CD2 | LEU- 77 | 3.6 | 0 | Hydrophobic |
| C2' | CB | SER- 98 | 4.48 | 0 | Hydrophobic |
