sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.850 Å
X-ray
2014-03-25
| 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: | 6.430 |
|---|---|
| Number of residues: | 29 |
| Including | |
| Standard Amino Acids: | 28 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | ZN |
| Ligandability | Volume (Å3) |
|---|---|
| 0.465 | 347.625 |
| % Hydrophobic | % Polar |
|---|---|
| 51.46 | 48.54 |
| According to VolSite | |
| HET Code: | CHD |
|---|---|
| Formula: | C24H39O5 |
| Molecular weight: | 407.563 g/mol |
| DrugBank ID: | DB02659 |
| Buried Surface Area: | 37.31 % |
| Polar Surface area: | 100.82 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 5 |
| H-Bond Donors: | 3 |
| Rings: | 4 |
| Aromatic rings: | 0 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 4 |
| X | Y | Z |
|---|---|---|
| 41.8085 | 74.8503 | 18.853 |
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 |
| C6 | CD1 | ILE- 91 | 3.47 | 0 | Hydrophobic |
| C7 | CG | GLN- 92 | 4.45 | 0 | Hydrophobic |
| C15 | CG | GLN- 92 | 3.76 | 0 | Hydrophobic |
| C15 | CG1 | VAL- 121 | 4.02 | 0 | Hydrophobic |
| C6 | CD2 | PHE- 131 | 4.31 | 0 | Hydrophobic |
| C19 | CE2 | PHE- 131 | 3.56 | 0 | Hydrophobic |
| C8 | CE2 | PHE- 131 | 3.82 | 0 | Hydrophobic |
| C18 | CZ | PHE- 131 | 3.54 | 0 | Hydrophobic |
| C21 | CB | THR- 200 | 4.26 | 0 | Hydrophobic |
| C23 | CG2 | THR- 200 | 3.93 | 0 | Hydrophobic |
| O25 | ZN | ZN- 301 | 2.54 | 0 | Metal Acceptor |
| O26 | ZN | ZN- 301 | 2.04 | 0 | Metal Acceptor |
