PDB entry 4zpe
View 4zpe on RCSB PDB site
Description: BACE1 in complex with 4-(cyclohexylamino)-1-(3-fluorophenyl)-8-(3-isopropoxybenzyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
Class: Hydrolase/hydrolase inhibitor
Keywords: Alzheimer Disease, Amyloid Precursor Protein Secretases, Amyloid beta-Peptides, Aspartic Acid Endopeptidases, Binding Sites, Drug Design, Transgenic, Models, Molecular, Protease Inhibitors, Structure-Activity Relationship, Hydrolase-hydrolase inhibitor complex
Deposited on
2015-05-07, released
2015-08-05
The last revision prior to the SCOPe 2.06 freeze date was dated
2015-10-28, with a file datestamp of
2015-10-23.
Experiment type: XRAY
Resolution: 1.7 Å
R-factor: N/A
AEROSPACI score: 0.4
(click here for full SPACI score report)
Chains and heterogens:
- Chain 'A':
Compound: Beta-secretase 1
Species: Homo sapiens [TaxId:9606]
Gene: BACE1, BACE, KIAA1149
Database cross-references and differences (RAF-indexed):
- Uniprot P56817 (Start-404)
- conflict (94)
- conflict (96)
Domains in SCOPe 2.06: d4zpea_ - Heterogens: 4QA, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence, based on SEQRES records: (download)
>4zpeA (A:)
mlpretdeepeepgrrgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfav
gaaphpflhryyqrqlsstyrdlrkgvyvpytqgawagelgtdlvsiphgpnvtvrania
aitesdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfp
lnqsevlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdckey
nydksivdsgttnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnif
pvislylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimeg
fyvvfdrarkrigfavsachvhdefrtaavegpfvtldmedcgyn
Sequence, based on observed residues (ATOM records): (download)
>4zpeA (A:)
gsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrql
sstyrdlrkgvyvpytqgawagelgtdlvsiphgpnvtvraniaaitesdkffingsnwe
gilglayaeiarpddslepffdslvkqthvpnlfslqlcgvggsmiiggidhslytgslw
ytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavksik
aasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfritilpqqylrpv
esqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsacdefrtaavegpfvt
ldmedcgyn