PDB entry 2zjl
View 2zjl on RCSB PDB site
Description: Crystal structure of the human BACE1 catalytic domain in complex with N-[1-(5-bromo-2,3-dimethoxy-benzyl)-piperidin-4-yl]-4-mercapto-butyramide
Class: hydrolase
Keywords: BACE1, small-molecule inhibitor, Tethering, Alternative splicing, Aspartyl protease, Glycoprotein, Hydrolase, Membrane, Protease, Transmembrane, Zymogen
Deposited on
2008-03-07, released
2009-01-20
The last revision prior to the SCOPe 2.08 freeze date was dated
2009-01-20, with a file datestamp of
2009-02-03.
Experiment type: XRAY
Resolution: 2.1 Å
R-factor: 0.26
AEROSPACI score: 0.35
(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):
Domains in SCOPe 2.08: d2zjla_ - Heterogens: F1L, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence, based on SEQRES records: (download)
>2zjlA (A:)
mlpretdeepeepgrrgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfav
gaaphpflhryyqrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvrania
aitesdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfp
lnqsevlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdckey
nydksivdsgttnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnif
pvislylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtcmgavimeg
fyvvfdrarkrigfavsachvhdefrtaavegpfvtldmedcgyn
Sequence, based on observed residues (ATOM records): (download)
>2zjlA (A:)
gsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrql
sstyrdlrkgvyvpykwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwegil
glayaeiarpddslepffdslvkqthvpnlfslqlcgvggsmiiggidhslytgslwytp
irrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavksikaas
sgfwlgeqlpvislylmgevtnqsfritilpqqylrpvykfaisqsstgtcmgavimegf
yvvfdrarkrigfavsachvhdefrtaavegpfvtldmedcgyn