sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
Å
NMR
2004-06-29
| Name: | Methane monooxygenase component C |
|---|---|
| ID: | MMOC_METCA |
| AC: | P22868 |
| Organism: | Methylococcus capsulatus |
| Reign: | Bacteria |
| TaxID: | 243233 |
| EC Number: | 1.14.13.25 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 0.000 |
|---|---|
| Number of residues: | 47 |
| Including | |
| Standard Amino Acids: | 47 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.221 | 772.875 |
| % Hydrophobic | % Polar |
|---|---|
| 57.64 | 42.36 |
| According to VolSite | |
| HET Code: | FDA |
|---|---|
| Formula: | C27H33N9O15P2 |
| Molecular weight: | 785.550 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 58.5 % |
| Polar Surface area: | 381.04 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 21 |
| H-Bond Donors: | 9 |
| Rings: | 6 |
| Aromatic rings: | 3 |
| Anionic atoms: | 2 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 3 |
| Rotatable Bonds: | 13 |
| X | Y | Z |
|---|---|---|
| 4.56787 | 8.704 | 1.80291 |
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 |
| C7M | CZ | PHE- 50 | 3.24 | 0 | Hydrophobic |
| C8M | CE2 | PHE- 50 | 3.54 | 0 | Hydrophobic |
| C8 | CZ | PHE- 50 | 3.41 | 0 | Hydrophobic |
| C2' | CB | ARG- 62 | 4.24 | 0 | Hydrophobic |
| C8M | CB | SER- 63 | 3.96 | 0 | Hydrophobic |
| C3' | CD2 | TYR- 64 | 3.58 | 0 | Hydrophobic |
| C6 | CB | SER- 65 | 3.56 | 0 | Hydrophobic |
| N3 | O | LEU- 79 | 3.11 | 131.6 | H-Bond (Ligand Donor) |
| C3' | CG1 | ILE- 80 | 4.16 | 0 | Hydrophobic |
| C5' | CG1 | ILE- 80 | 3.7 | 0 | Hydrophobic |
| C1B | CB | LEU- 83 | 3.44 | 0 | Hydrophobic |
| C4B | CB | LEU- 83 | 3.58 | 0 | Hydrophobic |
| O1A | N | PHE- 88 | 3.12 | 126.56 | H-Bond (Protein Donor) |
| C7M | CG2 | VAL- 110 | 3.58 | 0 | Hydrophobic |
| C6 | CB | PHE- 245 | 4.04 | 0 | Hydrophobic |
| C9A | CB | PHE- 245 | 3.8 | 0 | Hydrophobic |
| C3B | CG | PRO- 247 | 4.22 | 0 | Hydrophobic |
