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
2009-02-28
| Name: | Troponin C, slow skeletal and cardiac muscles |
|---|---|
| ID: | TNNC1_HUMAN |
| AC: | P63316 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| T | 100 % |
| B-Factor: | 0.000 |
|---|---|
| Number of residues: | 18 |
| Including | |
| Standard Amino Acids: | 18 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.430 | 303.750 |
| % Hydrophobic | % Polar |
|---|---|
| 87.78 | 12.22 |
| According to VolSite | |
| HET Code: | WW7 |
|---|---|
| Formula: | C16H22ClN2O2S |
| Molecular weight: | 341.876 g/mol |
| DrugBank ID: | DB04513 |
| Buried Surface Area: | 48.76 % |
| Polar Surface area: | 82.19 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 2 |
| H-Bond Donors: | 2 |
| Rings: | 2 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 8 |
| X | Y | Z |
|---|---|---|
| 81.3481 | 2.66677 | -2.39845 |
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 |
| C11 | CE1 | PHE- 20 | 4.35 | 0 | Hydrophobic |
| C8 | CB | ALA- 23 | 4.07 | 0 | Hydrophobic |
| C9 | CE2 | PHE- 27 | 3.19 | 0 | Hydrophobic |
| DuAr | DuAr | PHE- 27 | 3.98 | 0 | Aromatic Edge/Face |
| C7 | CD1 | ILE- 36 | 4.18 | 0 | Hydrophobic |
| CL1 | CD1 | ILE- 36 | 3.35 | 0 | Hydrophobic |
| CL1 | CD2 | LEU- 41 | 3.93 | 0 | Hydrophobic |
| C4 | CD2 | LEU- 41 | 3.77 | 0 | Hydrophobic |
| C3 | CE | MET- 45 | 3.67 | 0 | Hydrophobic |
| CL1 | CB | VAL- 72 | 3.41 | 0 | Hydrophobic |
| C6 | CG1 | VAL- 72 | 4.03 | 0 | Hydrophobic |
| C15 | CE | MET- 80 | 4.17 | 0 | Hydrophobic |
| C14 | SD | MET- 80 | 3.58 | 0 | Hydrophobic |
| C12 | CE | MET- 81 | 3.45 | 0 | Hydrophobic |
| C14 | CE | MET- 81 | 3.37 | 0 | Hydrophobic |
