sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.400 Å
X-ray
2004-10-27
| Name: | Methane monooxygenase component A beta chain |
|---|---|
| ID: | MEMB_METCA |
| AC: | P18798 |
| Organism: | Methylococcus capsulatus |
| Reign: | Bacteria |
| TaxID: | 243233 |
| EC Number: | 1.14.13.25 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| B | 8 % |
| C | 46 % |
| D | 46 % |
| B-Factor: | 45.737 |
|---|---|
| Number of residues: | 16 |
| Including | |
| Standard Amino Acids: | 16 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.164 | 313.875 |
| % Hydrophobic | % Polar |
|---|---|
| 75.27 | 24.73 |
| According to VolSite | |
| HET Code: | 3BB |
|---|---|
| Formula: | C4H7BrO |
| Molecular weight: | 151.002 g/mol |
| DrugBank ID: | DB04592 |
| Buried Surface Area: | 50.9 % |
| Polar Surface area: | 20.23 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 1 |
| H-Bond Donors: | 1 |
| Rings: | 0 |
| Aromatic rings: | 0 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 2 |
| X | Y | Z |
|---|---|---|
| 73.2088 | 44.8493 | 71.3968 |
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 |
| BR1 | CG | LEU- 405 | 3.39 | 0 | Hydrophobic |
| C3 | CB | ILE- 415 | 3.62 | 0 | Hydrophobic |
| O5 | O | ILE- 415 | 3.04 | 129.1 | H-Bond (Ligand Donor) |
| O5 | N | ILE- 415 | 2.97 | 149.64 | H-Bond (Protein Donor) |
| BR1 | CE2 | PHE- 470 | 4.31 | 0 | Hydrophobic |
| C4 | CB | PRO- 522 | 4.29 | 0 | Hydrophobic |
