sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
1.050 Å
X-ray
2005-02-02
| Name: | D-alanyl-D-alanine carboxypeptidase |
|---|---|
| ID: | DAC_STRSR |
| AC: | P15555 |
| Organism: | Streptomyces sp. |
| Reign: | Bacteria |
| TaxID: | 31952 |
| EC Number: | 3.4.16.4 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 11.777 |
|---|---|
| Number of residues: | 24 |
| Including | |
| Standard Amino Acids: | 23 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.577 | 313.875 |
| % Hydrophobic | % Polar |
|---|---|
| 35.48 | 64.52 |
| According to VolSite | |
| HET Code: | BSA |
|---|---|
| Formula: | C9H10NO4S |
| Molecular weight: | 228.245 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 51.87 % |
| Polar Surface area: | 94.68 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 4 |
| H-Bond Donors: | 1 |
| Rings: | 1 |
| Aromatic rings: | 1 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 4 |
| X | Y | Z |
|---|---|---|
| 21.9493 | -15.8325 | 38.9282 |
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 | CB | THR- 116 | 3.63 | 0 | Hydrophobic |
| C2 | CB | PHE- 120 | 3.64 | 0 | Hydrophobic |
| C7 | CB | THR- 301 | 3.93 | 0 | Hydrophobic |
| O15 | OG | SER- 326 | 2.73 | 175.39 | H-Bond (Protein Donor) |
| O12 | N | ASN- 327 | 2.97 | 145.97 | H-Bond (Protein Donor) |
