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Crystal structure of an acetate and cymal-5 bound cytochrome P450 2B4 F429H mutant
Analyse Crystal structure of an acetate and cymal-5 bound cytochrome P450 2B4 F429H… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6BWW
- Type
- protein
- Length
- 463 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome P450 2B4
- EC
- 1.14.14.1
- UniProt
- P00178
- Ligands
- CM5, HEM
- Pockets
- 5 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome P450 2B4 (EC 1.14.14.1) | protein | 463 | 52% helix, 10% strand | P00178 |
Ligands and binding sites
- CM5 · 5-cyclohexyl-1-pentyl-beta-D-maltoside · ligand · 2 copies · chains A
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- ACT · Acetate ion · additive · 8 copies · chains A
- GOL · Glycerol · additive · 6 copies · 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 847 | 0.86 | 0.88 | 91 | HEM, CM5, ACT |
| 2 | 104 | 0.75 | 0.95 | 16 | CM5 |
| 3 | 234 | 0.50 | 0.75 | 32 | empty |
| 4 | 96 | 0.47 | 0.80 | 23 | ACT |
| 5 | 65 | 0.34 | 0.77 | 19 | GOL |
Compared structures
- 6BWW · Crystal structure of an acetate and Cymal-5 bound cytochrome P450 2B4 F429H mutant · the same entry in another collection · chain A against A, TM-score 1.00
- P00178 · AlphaFold monomer V2.0 prediction for cytochrome P450 2B4 (P00178) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P00178
- Elsewhere: RCSB PDB 6BWW · PDBe 6BWW · UniProt P00178
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