MolNFT v1 · #182792 · protein

Bace-2 in complex with ligand 36

7N4N: “Bace-2 in complex with ligand 36”. X-ray diffraction, 1 ligand (0BK). MolNFT v1 #182792 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7N4N
Type: protein
Length: 478 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: Q9Y5Z0
Ligands: 0BK

Structure

x-ray diffraction · 2 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	366	—	Q9Y5Z0
D	—	protein	112	—	—

Ligands and binding sites

0BK · N-{3-[(2S,5R)-6-amino-2-(fluoromethyl)-5-(methanesulfonyl)-5-methyl-2,3,4,5-tetrahydropyridin-2-yl]-4-fluorophenyl}-6-methoxypyrimidine-4-carboxamide · ligand · chains A
EDO · 1,2-ethanediol · additive · 4 copies · chains A, D

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

7N4N · BACE-2 in complex with ligand 36 · the same entry in another collection · chain A against A, TM-score 1.00
Q9Y5Z0 · AlphaFold monomer V2.0 prediction for beta-secretase 2 (Q9Y5Z0) · 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 Q9Y5Z0
Elsewhere: RCSB PDB 7N4N · PDBe 7N4N · UniProt Q9Y5Z0

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