sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.600 Å
X-ray
2005-04-03
| Name: | C-20 methyltransferase |
|---|---|
| ID: | Q8KGE0_CHLTE |
| AC: | Q8KGE0 |
| Organism: | Chlorobium tepidum |
| Reign: | Bacteria |
| TaxID: | 194439 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 53.392 |
|---|---|
| Number of residues: | 38 |
| Including | |
| Standard Amino Acids: | 35 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 3 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.019 | 1545.750 |
| % Hydrophobic | % Polar |
|---|---|
| 52.40 | 47.60 |
| According to VolSite | |
| HET Code: | SAM |
|---|---|
| Formula: | C15H23N6O5S |
| Molecular weight: | 399.445 g/mol |
| DrugBank ID: | DB00118 |
| Buried Surface Area: | 64.02 % |
| Polar Surface area: | 189.77 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 9 |
| H-Bond Donors: | 4 |
| Rings: | 3 |
| Aromatic rings: | 2 |
| Anionic atoms: | 1 |
| Cationic atoms: | 2 |
| Rule of Five Violation: | 1 |
| Rotatable Bonds: | 7 |
| X | Y | Z |
|---|---|---|
| 7.49789 | 49.984 | 36.5642 |
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 |
| O3' | OE1 | GLU- 147 | 2.85 | 133.5 | H-Bond (Ligand Donor) |
| CB | CB | HIS- 150 | 3.7 | 0 | Hydrophobic |
| N | O | GLY- 177 | 3.25 | 161.28 | H-Bond (Ligand Donor) |
| O2' | OD1 | ASN- 200 | 2.64 | 165.38 | H-Bond (Ligand Donor) |
| C2' | CD1 | LEU- 201 | 4.15 | 0 | Hydrophobic |
| C1' | CG | LEU- 201 | 4.48 | 0 | Hydrophobic |
| N6 | OD1 | ASP- 227 | 2.87 | 167.47 | H-Bond (Ligand Donor) |
| N1 | N | ILE- 228 | 3.19 | 159.53 | H-Bond (Protein Donor) |
| N | O | CYS- 242 | 2.91 | 148.9 | H-Bond (Ligand Donor) |
| O | CZ | ARG- 243 | 3.75 | 0 | Ionic (Protein Cationic) |
| OXT | CZ | ARG- 243 | 3.14 | 0 | Ionic (Protein Cationic) |
| O | NE | ARG- 243 | 2.66 | 148.53 | H-Bond (Protein Donor) |
| OXT | NH2 | ARG- 243 | 2.62 | 147.86 | H-Bond (Protein Donor) |
| OXT | NE | ARG- 243 | 2.86 | 138.11 | H-Bond (Protein Donor) |
| CB | CB | ARG- 243 | 4.48 | 0 | Hydrophobic |
| N | O | HOH- 4452 | 2.89 | 153.62 | H-Bond (Ligand Donor) |
