4gid Summary

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Structure of beta-secretase complexed with inhibitor

The structure was published by Ghosh, A.K., Venkateswara Rao, K., Yadav, N.D., et al., Huang, X., Terzyan, S., and Tang, J., in 2012 in a paper entitled "Structure-based design of highly selective beta-secretase inhibitors: synthesis, biological evaluation, and protein-ligand X-ray crystal structure." (abstract).

This crystal structure was determined using X-ray diffraction at a resolution of 2.0 Å and deposited in 2012.

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

This PDB entry contains multiple copies of the structure of Beta-secretase 1.

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 has more than one probable quaternary state observed. For more details see the quaternary structure page.

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 (59-446) (BACE1_HUMAN)search Homo sapienssearch < 90% 388 100%
B Beta-secretase 1 P56817 (59-446) (BACE1_HUMAN)search Homo sapienssearch < 90% 388 100%
C Beta-secretase 1 P56817 (59-446) (BACE1_HUMAN)search Homo sapienssearch < 90% 388 100%
D Beta-secretase 1 P56817 (59-446) (BACE1_HUMAN)search Homo sapienssearch < 90% 388 100%


This entry contains 1 unique UniProt protein:

UniProt accession Name Organism PDB
P56817 (59 - 446) Beta-secretase 1 Homo sapiens

Chain Sequence family (Pfam)
A, B, C, D Eukaryotic aspartyl proteasesearch

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

Chain InterPro annotation
A, B, C, D 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