MolNFT v1 · #143967 · protein

Bace crystal structure with hydroxy pyrrolidine inhibitor

6BFD: “Bace crystal structure with hydroxy pyrrolidine inhibitor”. X-ray diffraction, 1 ligand (DJS). MolNFT v1 #143967 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6BFD
Type: protein
Length: 782 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: P56817
Ligands: DJS

Structure

x-ray diffraction · 2 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	393	—	P56817
B	—	protein	389	—	P56817

Ligands and binding sites

DJS · 2-{[(2S)-butan-2-yl]amino}-N-{(1R,2S)-1-hydroxy-3-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-2-yl}-6-(methylsulfonyl)pyridine-4-carboxamide · ligand · 2 copies · chains A, B
GOL · Glycerol · additive · 4 copies · chains A, B

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

Compared structures

6BFD · BACE crystal structure with hydroxy pyrrolidine inhibitor · 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 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 P56817
Elsewhere: RCSB PDB 6BFD · PDBe 6BFD · UniProt P56817

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