PDB entry 2zjn
View 2zjn on RCSB PDB site
Description: Crystal structure of the human BACE1 catalytic domain in complex with N-[1-(5-chloro-2-isopropoxy-3-methoxy-benzyl)-piperidin-4-yl]-2-(2-methyl-4-sulfamoyl-phenoxy)-acetamide
Class: hydrolase
Keywords: BACE1, small-molecule inhibitor, fragment-based discovery, 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 2.04 freeze date was dated
2009-01-20, with a file datestamp of
2009-02-03.
Experiment type: XRAY
Resolution: 2.7 Å
R-factor: 0.224
AEROSPACI score: 0.28
(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 2.04: d2zjna_ - Heterogens: F1N, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence, based on SEQRES records: (download)
>2zjnA (A:)
mlpretdeepeepgrrgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfav
gaaphpflhryyqrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvrania
aitesdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfp
lnqsevlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdckey
nydksivdsgttnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnif
pvislylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimeg
fyvvfdrarkrigfavsachvhdefrtaavegpfvtldmedcgyn
Sequence, based on observed residues (ATOM records): (download)
>2zjnA (A:)
gsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrql
sstyrdlrkgvyvpytkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwegi
lglayaeiarpddslepffdslvkqthvpnlfslqlcgsvggsmiiggidhslytgslwy
tpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavksika
asstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqylrpvd
cykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrtaavegpfvtld
medcgyn