MolNFT v1 · #25765 · protein

Apo structure of bace (beta secretase)

1W50 · Beta-secretase 1: “Apo structure of bace (beta secretase)”. X-ray diffraction, 1 ligand (IOD), 2 pockets (best druggability 0.58). MolNFT v1 #25765 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1W50
Type: protein
Length: 377 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Beta-secretase 1
EC: 3.4.23.46
UniProt: P56817
Ligands: IOD
Pockets: 2 · best druggability 0.58

Structure

x-ray diffraction · 1 distinct chain · 16% helix, 40% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Beta-secretase 1 (EC 3.4.23.46)	protein	377	16% helix, 40% strand	P56817

Ligands and binding sites

IOD · Iodide ion · ion · 4 copies · chains A

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

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	333	0.58	0.76	39	empty
2	151	0.58	0.83	33	empty

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

1W50 · Apo Structure of BACE (Beta Secretase) · 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 1W50 · PDBe 1W50 · UniProt P56817

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