MolNFT v1 · #176146 · protein
Crystal structure of BACE1 in complex with N-{3-[(4S)-2-amino-4- methyl-4H-1,3-thiazin-4-yl]-4- fluorophenyl}-5-cyanopyridine-2- carboxamide
7DCZ: “Crystal structure of BACE1 in complex with N-{3-[(4S)-2-amino-4- methyl-4H-1,3-thiazin-4-yl]-4…”. X-ray diffraction, 2 ligands (H3C, IOD). MolNFT v1 #176146 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7DCZ
- Type
- protein
- Length
- 379 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P56817
- Ligands
- H3C, IOD
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 379 | — | P56817 |
Ligands and binding sites
- H3C · N-[3-[(4S)-2-azanyl-4-methyl-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide · ligand · chains A
- IOD · Iodide ion · ion · 4 copies · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 7DCZ · Crystal Structure of BACE1 in complex with N-{3-[(4S)-2-amino-4-methyl-4H-1,3-thiazin-4-yl… · the same entry in another collection · chain A against A, TM-score 1.00
- P56817 · AlphaFold monomer V2.0 prediction for beta-secretase 1 (P56817) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P56817
- Elsewhere: RCSB PDB 7DCZ · PDBe 7DCZ · UniProt P56817
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