MolNFT v1 · #122627 · protein
Structure of P450 2B4 F202W mutant (cymal-5)
5IUZ · Cytochrome P450 2B4: “Structure of P450 2B4 F202W mutant (cymal-5)”. X-ray diffraction, 2 ligands (CM5, HEM), 14 pockets (best druggability 0.87). MolNFT v1 #122627 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5IUZ
- Type
- protein
- Length
- 923 residues
- Chains
- 2
- 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
- 14 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 55% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome P450 2B4 (EC 1.14.14.1) | protein | 459 | 55% helix, 10% strand | P00178 |
| B | Cytochrome P450 2B4 (EC 1.14.14.1) | protein | 464 | 54% helix, 9% strand | P00178 |
Ligands and binding sites
- CM5 · 5-cyclohexyl-1-pentyl-beta-D-maltoside · ligand · 4 copies · chains A, B
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 449 | 0.87 | 0.94 | 53 | HEM |
| 2 | 522 | 0.85 | 0.91 | 66 | HEM |
| 3 | 906 | 0.74 | 0.78 | 83 | empty |
| 4 | 98 | 0.73 | 0.93 | 16 | empty |
| 5 | 95 | 0.70 | 0.92 | 17 | CM5 |
Interfaces
1 interface between chains.
- A–B · 579 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
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 5IUZ · PDBe 5IUZ · UniProt P00178
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