PDBsum entry 3uqr

Hydrolase/hydrolase inhibitor

PDB id: 3uqr

Contents

Protein chains

377 a.a.

Ligands

QSC-ZSC-PSA-LEU-ALA-ZAE-PLJ ×3

Waters ×83

PDB id:

3uqr

Name:

Hydrolase/hydrolase inhibitor

Title:

Crystal structure of bace1 with its inhibitor

Structure:

Beta-secretase 1. Chain: a, b, c. Fragment: unp residues 43-454. Synonym: bace1, aspartyl protease 2, beta-site amyloid precursor protein cleaving enzyme 1, beta-site app cleaving enzyme 1, membrane- associated aspartic protease 2. Engineered: yes. Methyl (2s)-1-[(2r,5s,8s,12s,13s)-2,13-dibenzyl-12-hydroxy- 3,5-dimethyl-15-(3-[methyl(methylsulfonyl)amino]-5-{[(1r)-1-

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: bace1. Expressed in: escherichia coli. Expression_system_taxid: 562. Synthetic: yes. Synthetic construct. Organism_taxid: 32630.

Resolution:

3.06Å R-factor: 0.194 R-free: 0.242

Authors:

T.T.Chen,W.Y.Chen,L.Li,Y.C.Xu

Key ref:

Y.Liu et al. (2012). Cyanobacterial peptides as a prototype for the design of potent β-secretase inhibitors and the development of selective chemical probes for other aspartic proteases. J Med Chem, 55, 10749-10765. PubMed id: 23181502

Date:

21-Nov-11 Release date: 21-Nov-12

Protein chains

P56817  (BACE1_HUMAN) -  Beta-secretase 1 from Homo sapiens

Seq: 501 a.a.

Struc: 377 a.a.

Enzyme reactions

• Enzyme class: E.C.3.4.23.46 - memapsin 2.

J Med Chem 55:10749-10765 (2012)

PubMed id: 23181502

Cyanobacterial peptides as a prototype for the design of potent β-secretase inhibitors and the development of selective chemical probes for other aspartic proteases.

Y.Liu, W.Zhang, L.Li, L.A.Salvador, T.Chen, W.Chen, K.M.Felsenstein, T.B.Ladd, A.R.Price, T.E.Golde, J.He, Y.Xu, Y.Li, H.Luesch.

ABSTRACT

No abstract given.