MolNFT v1 · #173486 · protein

BACE1 in complex with compound 3 (nb-641)

7B1E: “BACE1 in complex with compound 3 (nb-641)”. X-ray diffraction, 1 ligand (SKW). MolNFT v1 #173486 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7B1E
Type: protein
Length: 377 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: P56817
Ligands: SKW

Structure

x-ray diffraction · 1 distinct chain.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	377	—	P56817

Ligands and binding sites

SKW · ~{N}-[3-[(4~{S})-2-azanyl-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide · ligand · chains A

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

Compared structures

7B1E · BACE1 IN COMPLEX WITH compound 3 (NB-641) · 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 7B1E · PDBe 7B1E · UniProt P56817

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