MolNFT v1 · #10876 · protein
Crystal structure of cytochrome P450CAM mutant (F87W/Y96F/V247L/C334A) with 1,3,5-trichlorobenzene
1J51: “Crystal structure of cytochrome P450CAM mutant (F87W/Y96F/V247L/C334A) with 1,3,5-trichlorobenzene”. X-ray diffraction, 3 ligands (HEM, TCZ, K), 17 pockets (best druggability 0.87). MolNFT v1 #10876 on GenesisL1: 3D structure…
- PDB
- 1J51
- Type
- protein
- Length
- 1,620 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome P450CAM
- EC
- 1.14.15.1
- UniProt
- P00183
- Ligands
- HEM, TCZ, K
- Pockets
- 17 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 50% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Cytochrome P450CAM (EC 1.14.15.1) | protein | 405 | 50% helix, 11% strand | P00183 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 4 copies · chains A, B, C, D
- TCZ · 1,3,5-trichloro-benzene · ligand · 3 copies · chains A, B, C
- K · Potassium ion · metal · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 454 | 0.87 | 0.94 | 49 | HEM, TCZ |
| 2 | 423 | 0.87 | 0.94 | 47 | HEM, TCZ |
| 3 | 414 | 0.86 | 0.94 | 48 | HEM, TCZ |
| 4 | 420 | 0.86 | 0.93 | 45 | HEM |
| 5 | 643 | 0.68 | 0.76 | 42 | empty |
Interfaces
5 interfaces between chains.
- A–D · 312 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 132 Ų buried · 1 hydrogen bond · protein-protein
- C–D · 117 Ų buried · 1 hydrogen bond · protein-protein
- B–C · 24 Ų buried · 0 hydrogen bonds · protein-protein
- B–D · 13 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1J51 · Crystal structure of cytochrome P450CAM mutant (F87W/Y96F/V247L/C334A) with… · the same entry in another collection · chain D against D, TM-score 1.00
- P00183 · AlphaFold monomer V2.0 prediction for camphor 5-monooxygenase (P00183) · a predicted model of the same protein · chain D 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 1J51 · PDBe 1J51 · UniProt P00183
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