PDB entry 2zjj
View 2zjj on RCSB PDB site
Description: Crystal structure of the human BACE1 catalytic domain in complex with 4-(4-fluoro-benzyl)-piperazine-2-carboxylic acid (2-mercapto-ethyl)-amide
Class: hydrolase
Keywords: BACE1, small-molecule inhibitor, Tethering, Aspartyl protease, Glycoprotein, Hydrolase, Membrane, Protease, Transmembrane, Zymogen
Deposited on
2008-03-07, released
2009-01-20
The last revision prior to the SCOPe 2.03 freeze date was dated
2011-07-13, with a file datestamp of
2011-05-08.
Experiment type: XRAY
Resolution: 2.2 Å
R-factor: 0.231
AEROSPACI score: 0.36
(click here for full SPACI score report)
Chains and heterogens:
- Chain 'A':
Compound: Beta-secretase 1
Species: Homo sapiens [TaxId:9606]
Gene: BACE1
Database cross-references and differences (RAF-indexed):
- Uniprot P56817 (Start-404)
- engineered (94)
- engineered (96)
- engineered (250)
Domains in SCOPe 2.03: d2zjja_ - Heterogens: F1J, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence, based on SEQRES records: (download)
>2zjjA (A:)
mlpretdeepeepgrrgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfav
gaaphpflhryyqrqlsstyrdlrkgvyvpytqgawagelgtdlvsiphgpnvtvrania
aitesdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfp
lnqsevlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdckey
nydksivdsgctnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnif
pvislylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimeg
fyvvfdrarkrigfavsachvhdefrtaavegpfvtldmedcgyn
Sequence, based on observed residues (ATOM records): (download)
>2zjjA (A:)
gsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrql
sstyrdlrkgvyvpytqgawagelgtdlvsiphgpnvtvraniaaitesdkffingsnwe
gilglayaeiarpddslepffdslvkqthvpnlfslqlcgaggsmiiggidhslytgslw
ytpirrewyyeviivrveingqdlkmdckeynydksivdsgctnlrlpkkvfeaavksik
aasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqylrpv
eddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrtaavegpfv
tldmedcgyn