sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.000 Å
X-ray
2009-01-14
| Name: | Laccase-1 |
|---|---|
| ID: | LAC1_MELAO |
| AC: | Q70KY3 |
| Organism: | Melanocarpus albomyces |
| Reign: | Eukaryota |
| TaxID: | 204285 |
| EC Number: | 1.10.3.2 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 14 % |
| B | 86 % |
| B-Factor: | 11.036 |
|---|---|
| Number of residues: | 24 |
| Including | |
| Standard Amino Acids: | 22 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.515 | 1036.125 |
| % Hydrophobic | % Polar |
|---|---|
| 51.79 | 48.21 |
| According to VolSite | |
| HET Code: | KIB |
|---|---|
| Formula: | C8H10O4 |
| Molecular weight: | 170.163 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 53.15 % |
| Polar Surface area: | 58.92 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 4 |
| H-Bond Donors: | 2 |
| Rings: | 1 |
| Aromatic rings: | 1 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 2 |
| X | Y | Z |
|---|---|---|
| -3.20142 | 27.2362 | 21.2986 |
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 |
| C4 | CB | ALA- 191 | 3.57 | 0 | Hydrophobic |
| C1 | CG | PRO- 192 | 3.57 | 0 | Hydrophobic |
| C7 | CZ2 | TRP- 373 | 4.16 | 0 | Hydrophobic |
| C7 | CD1 | LEU- 429 | 4.12 | 0 | Hydrophobic |
| C8 | CD2 | LEU- 429 | 4.26 | 0 | Hydrophobic |
| C1 | CD1 | LEU- 429 | 3.33 | 0 | Hydrophobic |
| C2 | CD2 | LEU- 429 | 3.65 | 0 | Hydrophobic |
| O1 | NE2 | HIS- 508 | 2.95 | 155.82 | H-Bond (Protein Donor) |
