MolNFT v1 · #182840 · protein

Bace-1 in complex with ligand 12

7N66: “Bace-1 in complex with ligand 12”. X-ray diffraction, 2 ligands (0EW, IOD). MolNFT v1 #182840 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7N66
Type: protein
Length: 381 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: P56817
Ligands: 0EW, IOD

Structure

x-ray diffraction · 1 distinct chain.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	381	—	P56817

Ligands and binding sites

0EW · N-{3-[(2S,5R)-6-amino-5-(ethanesulfonyl)-2-(fluoromethyl)-5-methyl-2,3,4,5-tetrahydropyridin-2-yl]-4-fluorophenyl}-2,2-difluoro-2H-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide · ligand · chains A
IOD · Iodide ion · ion · 5 copies · chains A
DMS · Dimethyl sulfoxide · additive · 3 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

7N66 · BACE-1 in complex with ligand 12 · 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 7N66 · PDBe 7N66 · UniProt P56817

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