Research workbench
Structure of CYP2B4 F244W in a ligand free conformation
Analyse Structure of CYP2B4 F244W in a ligand free conformation in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5EM4
- Type
- protein
- Length
- 919 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
- 11 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 50% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome P450 2B4 (EC 1.14.14.1) | protein | 460 | 50% helix, 8% strand | P00178 |
| B | Cytochrome P450 2B4 (EC 1.14.14.1) | protein | 459 | 49% helix, 7% 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
11 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 727 | 0.86 | 0.89 | 92 | HEM |
| 2 | 879 | 0.86 | 0.88 | 103 | HEM |
| 3 | 85 | 0.72 | 0.94 | 16 | empty |
| 4 | 95 | 0.70 | 0.92 | 16 | empty |
| 5 | 371 | 0.63 | 0.78 | 36 | empty |
Interfaces
1 interface between chains.
- A–B · 517 Ų buried · 5 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 5EM4 · PDBe 5EM4 · UniProt P00178
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