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Crystal structure of class I P450 monooxygenase (P450TOL) from rhodococcus coprophilus tc-2 in complex with meta-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
- 7V44
- Type
- protein
- Length
- 432 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- P450TOL monooxygenase
- UniProt
- A0A088FL33
- Ligands
- HEM, C3U, PO4
- Pockets
- 6 · best druggability 0.86
Structure
x-ray diffraction · 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
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- C3U · 1-chloranyl-2-methyl-benzene · 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
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 375 | 0.86 | 0.94 | 52 | HEM, C3U |
| 2 | 214 | 0.66 | 0.84 | 40 | empty |
| 3 | 104 | 0.61 | 0.87 | 22 | GOL |
| 4 | 206 | 0.55 | 0.79 | 30 | empty |
| 5 | 55 | 0.33 | 0.77 | 15 | empty |
Compared structures
- 7V44 · 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 7V44 · PDBe 7V44 · UniProt A0A088FL33
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