sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.930 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: | 11.767 |
|---|---|
| Number of residues: | 20 |
| Including | |
| Standard Amino Acids: | 19 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | ZN |
| Ligandability | Volume (Å3) |
|---|---|
| 0.675 | 398.250 |
| % Hydrophobic | % Polar |
|---|---|
| 49.15 | 50.85 |
| According to VolSite | |
| HET Code: | FBS |
|---|---|
| Formula: | C6H6FNO2S |
| Molecular weight: | 175.181 g/mol |
| DrugBank ID: | DB01784 |
| Buried Surface Area: | 59.82 % |
| Polar Surface area: | 68.54 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 2 |
| H-Bond Donors: | 1 |
| Rings: | 1 |
| Aromatic rings: | 1 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 1 |
| X | Y | Z |
|---|---|---|
| -5.27745 | 1.26382 | 15.9322 |
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 |
| C05 | CG2 | VAL- 121 | 3.77 | 0 | Hydrophobic |
| F11 | CZ | PHE- 131 | 4.34 | 0 | Hydrophobic |
| C05 | CD2 | LEU- 198 | 3.65 | 0 | Hydrophobic |
| O08 | N | THR- 199 | 3.05 | 158.81 | H-Bond (Protein Donor) |
| NP0 | OG1 | THR- 199 | 3.11 | 171.78 | H-Bond (Ligand Donor) |
| C03 | CG2 | THR- 200 | 4.13 | 0 | Hydrophobic |
| NP0 | ZN | ZN- 262 | 1.93 | 0 | Metal Acceptor |
