MolNFT v1 · #17749 · protein
Crystal structure of cytochrome P450CAM in complex with (S)- (-)-nicotine
1P2Y · Cytochrome P450-cam: “Crystal structure of cytochrome P450CAM in complex with (S)- (-)-nicotine”. X-ray diffraction, 2 ligands (HEM, NCT), 3 pockets (best druggability 0.87). MolNFT v1 #17749 on GenesisL1: 3D structure, binding…
- PDB
- 1P2Y
- Type
- protein
- Length
- 407 residues
- Chains
- 1
- 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, NCT
- Pockets
- 3 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome P450-cam (EC 1.14.15.1) | protein | 407 | 51% helix, 11% strand | P00183 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- NCT · (S)-3-(1-methylpyrrolidin-2-yl)pyridine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 485 | 0.87 | 0.93 | 50 | HEM, NCT |
| 2 | 55 | 0.37 | 0.80 | 13 | empty |
| 3 | 66 | 0.36 | 0.78 | 17 | empty |
Compared structures
- 1P2Y · Crystal structure of cytochrome P450CAM in complex with (S)-(-)-nicotine · 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 A against A, TM-score 0.99
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 1P2Y · PDBe 1P2Y · UniProt P00183
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