2.600 Å
X-ray
2009-10-23
| Name: | ATP-dependent zinc metalloprotease FtsH |
|---|---|
| ID: | FTSH_THEMA |
| AC: | Q9WZ49 |
| Organism: | Thermotoga maritima |
| Reign: | Bacteria |
| TaxID: | 243274 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| G | 100 % |
| B-Factor: | 78.635 |
|---|---|
| Number of residues: | 28 |
| Including | |
| Standard Amino Acids: | 27 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | ZN |
| Ligandability | Volume (Å3) |
|---|---|
| 0.804 | 894.375 |
| % Hydrophobic | % Polar |
|---|---|
| 43.02 | 56.98 |
| According to VolSite | |

| HET Code: | NHX |
|---|---|
| Formula: | C24H32N4O5 |
| Molecular weight: | 456.535 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 42.75 % |
| Polar Surface area: | 150.61 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 5 |
| H-Bond Donors: | 5 |
| Rings: | 2 |
| Aromatic rings: | 2 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 11 |
| X | Y | Z |
|---|---|---|
| 33.0879 | 114.01 | 50.7821 |
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 |
| CAA | CG2 | ILE- 420 | 3.62 | 0 | Hydrophobic |
| CAA | CB | HIS- 423 | 4.39 | 0 | Hydrophobic |
| OAI | OE2 | GLU- 424 | 2.66 | 177.92 | H-Bond (Protein Donor) |
| N | O | LYS- 451 | 3.35 | 150.41 | H-Bond (Ligand Donor) |
| CB | CB | LYS- 451 | 3.72 | 0 | Hydrophobic |
| CAN | CB | ALA- 452 | 3.71 | 0 | Hydrophobic |
| CBC | CB | ALA- 452 | 4.23 | 0 | Hydrophobic |
| CB | CD1 | LEU- 453 | 4.08 | 0 | Hydrophobic |
| CBD | CB | LEU- 453 | 4.2 | 0 | Hydrophobic |
| OAG | N | LEU- 453 | 2.89 | 154.96 | H-Bond (Protein Donor) |
| NAT | O | GLY- 454 | 3.29 | 176.6 | H-Bond (Ligand Donor) |
| CAO | CB | ASN- 499 | 3.59 | 0 | Hydrophobic |
| OAF | ZN | ZN- 996 | 2.11 | 0 | Metal Acceptor |
| OAI | ZN | ZN- 996 | 2.13 | 0 | Metal Acceptor |