sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.100 Å
X-ray
2009-03-31
| 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: | 6.048 |
|---|---|
| Number of residues: | 23 |
| Including | |
| Standard Amino Acids: | 21 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | ZN |
| Ligandability | Volume (Å3) |
|---|---|
| 0.248 | 330.750 |
| % Hydrophobic | % Polar |
|---|---|
| 42.86 | 57.14 |
| According to VolSite | |
| HET Code: | FBV |
|---|---|
| Formula: | C6H6FNO2S |
| Molecular weight: | 175.181 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 70.12 % |
| 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 |
|---|---|---|
| 16.1771 | 3.92764 | 15.7916 |
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 |
| C3 | CG2 | VAL- 121 | 3.91 | 0 | Hydrophobic |
| F | CB | LEU- 198 | 3.54 | 0 | Hydrophobic |
| C4 | CD2 | LEU- 198 | 3.93 | 0 | Hydrophobic |
| N2 | OG1 | THR- 199 | 2.88 | 161.21 | H-Bond (Ligand Donor) |
| O1 | N | THR- 199 | 3 | 151.1 | H-Bond (Protein Donor) |
| F | CG2 | THR- 200 | 3.44 | 0 | Hydrophobic |
| N2 | ZN | ZN- 1262 | 1.9 | 0 | Metal Acceptor |
