PDBsum entry 3n4l

Hydrolase/hydrolase inhibitor

PDB id: 3n4l

Contents

Protein chains

375 a.a. *

Ligands

842 ×3

Waters ×35

* Residue conservation analysis

PDB id:

3n4l

Name:

Hydrolase/hydrolase inhibitor

Title:

Bace-1 in complex with eln380842

Structure:

Beta-secretase 1. Chain: a, b, c. Synonym: beta-site amyloid precursor protein cleaving enzyme 1, beta- site app cleaving enzyme 1, membrane-associated aspartic protease 2, memapsin-2, aspartyl protease 2, asp 2, asp2. Engineered: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: bace1, bace, kiaa1149. Expressed in: escherichia coli. Expression_system_taxid: 562.

Resolution:

2.70Å R-factor: 0.226 R-free: 0.283

Authors:

N.H.Yao

Key ref:

A.P.Truong et al. (2010). Improving the permeability of the hydroxyethylamine BACE-1 inhibitors: structure-activity relationship of P2' substituents. Bioorg Med Chem Lett, 20, 4789-4794. PubMed id: 20634069

Date:

21-May-10 Release date: 24-Nov-10

Protein chains

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

Seq: 501 a.a.

Struc: 375 a.a.

Enzyme reactions

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

Bioorg Med Chem Lett 20:4789-4794 (2010)

PubMed id: 20634069

Improving the permeability of the hydroxyethylamine BACE-1 inhibitors: structure-activity relationship of P2' substituents.

A.P.Truong, G.D.Probst, J.Aquino, L.Fang, L.Brogley, J.M.Sealy, R.K.Hom, J.A.Tucker, V.John, J.S.Tung, M.A.Pleiss, A.W.Konradi, H.L.Sham, M.S.Dappen, G.Tóth, N.Yao, E.Brecht, H.Pan, D.R.Artis, L.Ruslim, M.P.Bova, S.Sinha, T.A.Yednock, W.Zmolek, K.P.Quinn, J.M.Sauer.

ABSTRACT

No abstract given.