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Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus TC-2 in complex with para-chlorotoluene.
Analyse Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7V43
- Type
- protein
- Length
- 432 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.4
- Source
- Rhodococcus coprophilus
- Molecule
- p450tol monooxygenase
- UniProt
- A0A088FL33
- Ligands
- C4O, HEM, PO4
- Pockets
- 5 · best druggability 0.86
Structure
x-ray diffraction · resolution 1.4 · 1 distinct chain · 51% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | p450tol monooxygenase | protein | 432 | 51% helix, 11% strand | A0A088FL33 |
Ligands and binding sites
- C4O · 1-chloranyl-4-methyl-benzene · ligand · chains A
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- PO4 · Phosphate ion · ion · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 379 | 0.86 | 0.95 | 54 | C4O, HEM |
| 2 | 185 | 0.65 | 0.85 | 38 | empty |
| 3 | 114 | 0.62 | 0.87 | 23 | GOL |
| 4 | 195 | 0.53 | 0.78 | 32 | empty |
| 5 | 66 | 0.30 | 0.74 | 12 | empty |
Compared structures
- 7V43 · Crystal structure of class I P450 monooxygenase (P450TOL) from rhodococcus coprophilus… · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt A0A088FL33
- Elsewhere: RCSB PDB 7V43 · PDBe 7V43 · UniProt A0A088FL33
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