sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.940 Å
X-ray
2001-04-12
| Name: | Carbonic anhydrase 2 |
|---|---|
| ID: | CAH2_HUMAN |
| AC: | P00918 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | 4.2.1.1 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 11.895 |
|---|---|
| Number of residues: | 23 |
| Including | |
| Standard Amino Acids: | 22 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | ZN |
| Ligandability | Volume (Å3) |
|---|---|
| 0.333 | 351.000 |
| % Hydrophobic | % Polar |
|---|---|
| 35.58 | 64.42 |
| According to VolSite | |
| HET Code: | SBS |
|---|---|
| Formula: | C19H21N3O3S |
| Molecular weight: | 371.453 g/mol |
| DrugBank ID: | DB03950 |
| Buried Surface Area: | 44.79 % |
| Polar Surface area: | 102.57 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 2 |
| Rings: | 3 |
| Aromatic rings: | 3 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 6 |
| X | Y | Z |
|---|---|---|
| -2.36462 | 5.72719 | 14.9239 |
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 | CG2 | VAL- 121 | 3.75 | 0 | Hydrophobic |
| C12 | CG1 | VAL- 121 | 4.11 | 0 | Hydrophobic |
| C22 | CG2 | VAL- 135 | 3.79 | 0 | Hydrophobic |
| C26 | CD1 | LEU- 198 | 4.31 | 0 | Hydrophobic |
| C11 | CD2 | LEU- 198 | 3.79 | 0 | Hydrophobic |
| O14 | N | THR- 199 | 2.89 | 161.65 | H-Bond (Protein Donor) |
| NP6 | OG1 | THR- 199 | 3.13 | 174.14 | H-Bond (Ligand Donor) |
| C09 | CB | THR- 200 | 4.29 | 0 | Hydrophobic |
| C26 | CG | PRO- 202 | 4.11 | 0 | Hydrophobic |
| C25 | CG | PRO- 202 | 3.37 | 0 | Hydrophobic |
| C22 | CD1 | LEU- 204 | 4.47 | 0 | Hydrophobic |
| NP6 | ZN | ZN- 262 | 1.78 | 0 | Metal Acceptor |
