Research workbench
Crystal structure of cytochrome P450CAM mutant (F87W/Y96F/L244A/V247L/C334A) with pentachlorobenzene
Analyse Crystal structure of cytochrome P450CAM mutant (F87W/Y96F/L244A/V247L/C334A)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2GQX
- Type
- protein
- Length
- 810 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome P450-cam
- EC
- 1.14.15.1
- UniProt
- P00183
- Ligands
- HEM, 5CL, K
- Pockets
- 8 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Cytochrome P450-cam (EC 1.14.15.1) | protein | 405 | 51% helix, 11% strand | P00183 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- 5CL · 1,2,3,4,5-pentachlorobenzene · ligand · chains A
- K · Potassium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 404 | 0.86 | 0.94 | 49 | HEM |
| 2 | 407 | 0.85 | 0.93 | 48 | HEM, 5CL |
| 3 | 335 | 0.55 | 0.75 | 34 | empty |
| 4 | 76 | 0.36 | 0.77 | 16 | empty |
| 5 | 64 | 0.33 | 0.76 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 157 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 2GQX · Crystal structure of cytochrome p450cam mutant (f87w/y96f/l244a/v247l/c334a) with… · the same entry in another collection · chain A against A, TM-score 1.00
- P00183 · AlphaFold monomer V2.0 prediction for camphor 5-monooxygenase (P00183) · a predicted model of the same protein · chain B 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 P00183
- Elsewhere: RCSB PDB 2GQX · PDBe 2GQX · UniProt P00183
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