sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.500 Å
X-ray
1999-08-16
| Name: | Adenylate cyclase type 2 | Adenylate cyclase type 5 |
|---|---|---|
| ID: | ADCY2_RAT | ADCY5_CANLF |
| AC: | P26769 | P30803 |
| Organism: | Rattus norvegicus | Canis lupus familiaris |
| Reign: | Eukaryota | |
| TaxID: | 10116 | 9615 |
| EC Number: | / | |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 58 % |
| B | 42 % |
| B-Factor: | 38.895 |
|---|---|
| Number of residues: | 27 |
| Including | |
| Standard Amino Acids: | 26 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.939 | 597.375 |
| % Hydrophobic | % Polar |
|---|---|
| 42.94 | 57.06 |
| According to VolSite | |
| HET Code: | FOK |
|---|---|
| Formula: | C22H34O7 |
| Molecular weight: | 410.501 g/mol |
| DrugBank ID: | DB02587 |
| Buried Surface Area: | 58.4 % |
| Polar Surface area: | 113.29 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 7 |
| H-Bond Donors: | 3 |
| Rings: | 3 |
| Aromatic rings: | 0 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 3 |
| X | Y | Z |
|---|---|---|
| 43.201 | -11.0563 | 50.2519 |
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 |
| C19 | CE1 | PHE- 394 | 4.25 | 0 | Hydrophobic |
| C2 | CZ | PHE- 394 | 3.96 | 0 | Hydrophobic |
| C18 | CD1 | LEU- 438 | 3.87 | 0 | Hydrophobic |
| C2 | CE1 | TYR- 443 | 4.34 | 0 | Hydrophobic |
| C3 | CZ | TYR- 443 | 4.13 | 0 | Hydrophobic |
| O2 | O | VAL- 506 | 2.79 | 167.9 | H-Bond (Ligand Donor) |
| C12 | CB | TRP- 507 | 3.96 | 0 | Hydrophobic |
| O7 | N | SER- 508 | 3.36 | 173.98 | H-Bond (Protein Donor) |
| C20 | CG1 | VAL- 511 | 4.29 | 0 | Hydrophobic |
| C2 | CG1 | VAL- 511 | 3.56 | 0 | Hydrophobic |
| C17 | CG2 | THR- 512 | 3.94 | 0 | Hydrophobic |
| C20 | CB | THR- 512 | 4.32 | 0 | Hydrophobic |
| C19 | CB | ASN- 515 | 4.33 | 0 | Hydrophobic |
| C16 | CD1 | TYR- 899 | 3.89 | 0 | Hydrophobic |
| C18 | CG2 | ILE- 940 | 3.8 | 0 | Hydrophobic |
| O5 | N | SER- 942 | 3.44 | 173.16 | H-Bond (Protein Donor) |
