sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.240 Å
X-ray
2015-08-03
| Name: | Adenylate cyclase type 10 |
|---|---|
| ID: | ADCYA_HUMAN |
| AC: | Q96PN6 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 35.596 |
|---|---|
| Number of residues: | 27 |
| Including | |
| Standard Amino Acids: | 27 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.902 | 1096.875 |
| % Hydrophobic | % Polar |
|---|---|
| 46.77 | 53.23 |
| According to VolSite | |
| HET Code: | B1T |
|---|---|
| Formula: | C12H6Cl4O2S |
| Molecular weight: | 356.052 g/mol |
| DrugBank ID: | DB04813 |
| Buried Surface Area: | 72.49 % |
| Polar Surface area: | 65.76 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 2 |
| Rings: | 2 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 1 |
| Rotatable Bonds: | 2 |
| X | Y | Z |
|---|---|---|
| 17.3253 | 25.4571 | 1.27026 |
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 |
| SAK | CZ | PHE- 45 | 4.33 | 0 | Hydrophobic |
| CLAD | CE1 | PHE- 45 | 4.13 | 0 | Hydrophobic |
| CLAE | CD | LYS- 95 | 3.92 | 0 | Hydrophobic |
| CAJ | CD | LYS- 95 | 4.41 | 0 | Hydrophobic |
| CLAD | CB | LYS- 95 | 3.9 | 0 | Hydrophobic |
| CAP | CD | LYS- 95 | 4.02 | 0 | Hydrophobic |
| CAH | CB | ALA- 97 | 3.6 | 0 | Hydrophobic |
| CAH | CB | ALA- 100 | 3.6 | 0 | Hydrophobic |
| CLAC | CD1 | LEU- 102 | 3.68 | 0 | Hydrophobic |
| CLAD | CB | LEU- 102 | 3.85 | 0 | Hydrophobic |
| CAG | CD2 | LEU- 102 | 3.36 | 0 | Hydrophobic |
| CLAE | CD2 | LEU- 166 | 3.93 | 0 | Hydrophobic |
| CLAE | CG2 | VAL- 167 | 3.94 | 0 | Hydrophobic |
| CAG | CG2 | VAL- 167 | 4.13 | 0 | Hydrophobic |
| CLAC | CG1 | VAL- 172 | 3.46 | 0 | Hydrophobic |
| CAG | CG1 | VAL- 172 | 3.74 | 0 | Hydrophobic |
| CLAC | CG1 | VAL- 175 | 3.24 | 0 | Hydrophobic |
| SAK | CD | ARG- 176 | 4.43 | 0 | Hydrophobic |
| CLAC | CG | ARG- 176 | 3.64 | 0 | Hydrophobic |
| CAI | CD | ARG- 176 | 3.69 | 0 | Hydrophobic |
| SAK | CD1 | PHE- 336 | 3.91 | 0 | Hydrophobic |
| OAA | N | MET- 337 | 2.88 | 147.3 | H-Bond (Protein Donor) |
| CAN | CB | MET- 337 | 4.2 | 0 | Hydrophobic |
| SAK | CD1 | PHE- 338 | 3.64 | 0 | Hydrophobic |
