PDB entry 4j1h
View 4j1h on RCSB PDB site
Description: CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid [3-((4S,6R)-2-amino-4-methyl-6-trifluoromethyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide
Class: hydrolase/hydrolase inhibitor
Keywords: protease inhibitor, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on
2013-02-01, released
2013-05-01
The last revision prior to the SCOPe 2.05 freeze date was dated
2013-06-19, with a file datestamp of
2013-06-14.
Experiment type: XRAY
Resolution: 2.2 Å
R-factor: 0.188
AEROSPACI score: 0.39
(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
- engineered mutation (261)
Domains in SCOPe 2.05: d4j1ha_ - Heterogens: NA, DMS, 1HJ, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence, based on SEQRES records: (download)
>4j1hA (A:)
etdeepeepgrrgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaap
hpflhryyqrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaite
sdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqs
evlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdckeynydk
sivdsgttnlrlpkkvfeaavasikaasstekfpdgfwlgeqlvcwqagttpwnifpvis
lylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegfyvv
fdrarkrigfavsachvhdefrtaavegpfvtldmedcgynipqtdest
Sequence, based on observed residues (ATOM records): (download)
>4j1hA (A:)
rgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrq
lsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnw
egilglayaeiarpddslepffdslvkqthvpnlfslqlcgsvggsmiiggidhslytgs
lwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkkvfeaavas
ikaasstekfpdgfwlgeqlvcwqapwnifpvislylmgevtnqsfritilpqqylrpve
dvdcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsachvhdefrtaavegpfv
tldmedcgyn