3s2o Summary

pdbe.org/3s2o
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PDB entry 3s2o (supersedes 3msm)

Fragment based discovery and optimisation of bace-1 inhibitors

The structure was published by Madden, J., Dod, J.R., Godemann, R., et al., Barker, J., Dyekjaer, J.D., and Hesterkamp, T., in 2010 in a paper entitled "Fragment-based discovery and optimization of BACE1 inhibitors." (abstract).

This crystal structure was determined using X-ray diffraction at a resolution of 2.6 Å and deposited in 2011.

The experimental data on which the structure is based was also deposited.

The PDB entry contains the structure of Beta-secretase 1. This molecule has the UniProt identifier P56817 (BACE1_HUMAN)search. The sample contained 408 residues which is < 90% of the natural sequence. Out of 408 residues 377 were observed and are deposited in the PDB.

It also contains one or more heterogenic compounds (e.g., ligands, co-factors, ions, modified amino acids, etc.); see here for a complete list.

The molecule is most likely monomeric.

The following tables show cross-reference information to other databases (to obtain a list of all PDB entries sharing the same property or classification, click on the magnifying glass icon):


Chain Name UniProt Name of source organism % of UniProt sequence present in the sample Residues in the sample molecules % of residues observed
A Beta-secretase 1 P56817 (48-453) (BACE1_HUMAN)search Homo sapienssearch < 90% 408 92%


This entry contains 1 unique UniProt protein:

UniProt accession Name Organism PDB
P56817 (48 - 453) Beta-secretase 1 Homo sapiens

Chain Structural classification (CATH) Sequence family (Pfam)
A Acid Proteasessearch Eukaryotic aspartyl proteasesearch

Chain ID Molecular function (GO) Biological process (GO)
A (P56817) aspartic-type endopeptidase activitysearch proteolysissearch

Chain InterPro annotation
A Aspartic peptidasesearch Aspartic peptidase, active sitesearch Peptidase A1, beta-site APP cleaving enzyme, BACEsearch Peptidase A1, beta-site APP cleaving enzyme 1, BACE 1search Aspartic peptidase domainsearch