MolNFT v1 · #134362 · protein
Aminomethyl-derived beta secretase (BACE1) inhibitors: engaging GLY230 without an anilide functionality
5T1U: “Aminomethyl-derived beta secretase (BACE1) inhibitors: engaging GLY230 without an anilide functionality”. X-ray diffraction, 2 ligands (P6U, IOD). MolNFT v1 #134362 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5T1U
- Type
- protein
- Length
- 380 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P56817
- Ligands
- P6U, IOD
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 380 | — | P56817 |
Ligands and binding sites
- 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 · chains A
- IOD · Iodide ion · ion · 3 copies · chains A
- EDO · 1,2-ethanediol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 5T1U · Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide… · 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 5T1U · PDBe 5T1U · UniProt P56817
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.