sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.830 Å
X-ray
2013-12-11
| Name: | CREB-binding protein |
|---|---|
| ID: | CBP_HUMAN |
| AC: | Q92793 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 94 % |
| D | 6 % |
| B-Factor: | 23.333 |
|---|---|
| Number of residues: | 19 |
| Including | |
| Standard Amino Acids: | 18 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.166 | 550.125 |
| % Hydrophobic | % Polar |
|---|---|
| 55.83 | 44.17 |
| According to VolSite | |
| HET Code: | 15E |
|---|---|
| Formula: | C9H9BrN2O |
| Molecular weight: | 241.085 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 48.76 % |
| Polar Surface area: | 32.34 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 1 |
| H-Bond Donors: | 1 |
| Rings: | 2 |
| Aromatic rings: | 1 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 0 |
| X | Y | Z |
|---|---|---|
| -1.32246 | 48.1303 | 65.1051 |
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 |
| CAF | CB | PRO- 1110 | 3.87 | 0 | Hydrophobic |
| BR | CD2 | LEU- 1120 | 3.81 | 0 | Hydrophobic |
| CAF | CD1 | LEU- 1120 | 4.08 | 0 | Hydrophobic |
| CAC | CD1 | ILE- 1122 | 4 | 0 | Hydrophobic |
| OAM | ND2 | ASN- 1168 | 2.9 | 165.16 | H-Bond (Protein Donor) |
| CAF | CG2 | VAL- 1174 | 3.57 | 0 | Hydrophobic |
