MolNFT v1 · #134802 · protein
Structure of cytochrome P450 2D6 (CYP2D6) BACE1 inhibitor complex
5TFT: “Structure of cytochrome P450 2D6 (CYP2D6) BACE1 inhibitor complex”. X-ray diffraction, 3 ligands (HEM, P6U, ZN). MolNFT v1 #134802 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5TFT
- Type
- protein
- Length
- 1,827 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P10635
- Ligands
- HEM, P6U, ZN
Structure
x-ray diffraction · 4 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 467 | — | P10635 |
| B | — | protein | 460 | — | P10635 |
| C | — | protein | 447 | — | P10635 |
| D | — | protein | 453 | — | P10635 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 4 copies · chains A, B, C, D
- P6U · (4S)-4-[2,4-difluoro-5-({[1-(trifluoromethyl) cyclopropyl]amino}methyl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine · ligand · 4 copies · chains A, B, C, D
- ZN · Zinc ion · metal · 5 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- P10635 · AlphaFold monomer V2.0 prediction for cytochrome P450 2D6 (P10635) · 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 P10635
- Elsewhere: RCSB PDB 5TFT · PDBe 5TFT · UniProt P10635
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