sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.200 Å
X-ray
2009-05-06
| Name: | Ferrochelatase, mitochondrial |
|---|---|
| ID: | HEMH_HUMAN |
| AC: | P22830 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | 4.99.1.1 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 36.002 |
|---|---|
| Number of residues: | 21 |
| Including | |
| Standard Amino Acids: | 18 |
| Non Standard Amino Acids: | 2 |
| Water Molecules: | 1 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.136 | 1555.875 |
| % Hydrophobic | % Polar |
|---|---|
| 56.83 | 43.17 |
| According to VolSite | |
| HET Code: | CHD |
|---|---|
| Formula: | C24H39O5 |
| Molecular weight: | 407.563 g/mol |
| DrugBank ID: | DB02659 |
| Buried Surface Area: | 36.04 % |
| Polar Surface area: | 100.82 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 5 |
| H-Bond Donors: | 3 |
| Rings: | 4 |
| Aromatic rings: | 0 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 4 |
| X | Y | Z |
|---|---|---|
| 35.5872 | 19.3067 | 45.7043 |
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 |
| C18 | CE2 | PHE- 93 | 4.45 | 0 | Hydrophobic |
| C6 | CB | MET- 99 | 4.12 | 0 | Hydrophobic |
| C18 | CE | MET- 99 | 4.21 | 0 | Hydrophobic |
| C19 | CB | MET- 99 | 4.41 | 0 | Hydrophobic |
| C15 | CD2 | LEU- 101 | 3.82 | 0 | Hydrophobic |
| C7 | CD2 | LEU- 101 | 3.47 | 0 | Hydrophobic |
| C23 | CD | ARG- 115 | 3.5 | 0 | Hydrophobic |
| O26 | NH1 | ARG- 115 | 2.94 | 145.47 | H-Bond (Protein Donor) |
| C19 | CG | PRO- 266 | 4.07 | 0 | Hydrophobic |
| C1 | CB | PRO- 266 | 3.33 | 0 | Hydrophobic |
| C3 | CB | SER- 268 | 4.1 | 0 | Hydrophobic |
| C2 | CB | MET- 308 | 3.97 | 0 | Hydrophobic |
| C11 | CZ2 | TRP- 310 | 4.39 | 0 | Hydrophobic |
| O12 | O | HOH- 441 | 2.97 | 179.95 | H-Bond (Protein Donor) |
