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
2003-11-18
| Name: | Carbonic anhydrase 14 |
|---|---|
| ID: | CAH14_MOUSE |
| AC: | Q9WVT6 |
| Organism: | Mus musculus |
| Reign: | Eukaryota |
| TaxID: | 10090 |
| EC Number: | 4.2.1.1 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| B | 100 % |
| B-Factor: | 39.398 |
|---|---|
| Number of residues: | 25 |
| Including | |
| Standard Amino Acids: | 24 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | ZN |
| Ligandability | Volume (Å3) |
|---|---|
| 0.714 | 1798.875 |
| % Hydrophobic | % Polar |
|---|---|
| 39.96 | 60.04 |
| According to VolSite | |
| HET Code: | AZM |
|---|---|
| Formula: | C4H6N4O3S2 |
| Molecular weight: | 222.245 g/mol |
| DrugBank ID: | DB00819 |
| Buried Surface Area: | 60.23 % |
| Polar Surface area: | 151.66 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 5 |
| H-Bond Donors: | 2 |
| Rings: | 1 |
| Aromatic rings: | 1 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 2 |
| X | Y | Z |
|---|---|---|
| 11.7215 | 15.5009 | -20.5587 |
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 |
| S2 | CG2 | VAL- 121 | 3.99 | 0 | Hydrophobic |
| C4 | CD2 | LEU- 131 | 4.26 | 0 | Hydrophobic |
| S2 | CD2 | LEU- 198 | 3.84 | 0 | Hydrophobic |
| N1 | OG1 | THR- 199 | 2.56 | 149.44 | H-Bond (Ligand Donor) |
| O2 | N | THR- 199 | 3.36 | 152.35 | H-Bond (Protein Donor) |
| N3 | OG1 | THR- 200 | 3.07 | 139.94 | H-Bond (Protein Donor) |
| N1 | ZN | ZN- 601 | 2.35 | 0 | Metal Acceptor |
