PDB entry 4h3i
View 4h3i on RCSB PDB site
Description: Structure of BACE Bound to 3-(5-((7aR)-2-imino-6-(3-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-1H-pyrrolo[3,4-d]pyrimidin-7a-yl)thiophen-3-yl)benzonitrile
Class: hydrolase/hydrolase inhibitor
Keywords: BACE1, Alzheimers, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on
2012-09-13, released
2012-11-07
The last revision prior to the SCOPe 2.02 freeze date was dated
2012-11-21, with a file datestamp of
2012-11-16.
Experiment type: XRAY
Resolution: 1.96 Å
R-factor: 0.213
AEROSPACI score: 0.44
(click here for full SPACI score report)
Chains and heterogens:
- Chain 'A':
Compound: Beta-secretase 1
Species: Homo sapiens [TaxId:9606]
Gene: BACE, BACE1, KIAA1149
Database cross-references and differences (RAF-indexed):
Domains in SCOPe 2.02: d4h3ia_ - Chain 'B':
Compound: Beta-secretase 1
Species: Homo sapiens [TaxId:9606]
Gene: BACE, BACE1, KIAA1149
Database cross-references and differences (RAF-indexed):
- Heterogens: TLA, 10V, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence, based on SEQRES records: (download)
>4h3iA (A:)
lrlpretdeepeepgrrgsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfa
vgaaphpflhryyqrqlsstyrdlrkgvyvpytqgkwegelgtdlvsiphgpnvtvrani
aaitesdkffingsnwegilglayaeiarpddslepffdslvkqthvpnlfslqlcgagf
plnqsevlasvggsmiiggidhslytgslwytpirrewyyeviivrveingqdlkmdcke
ynydksivdsgttnlrlpkkvfeaavksikaasstekfpdgfwlgeqlvcwqagttpwni
fpvislylmgevtnqsfritilpqqylrpvedvatsqddcykfaisqsstgtvmgavime
gfyvvfdrarkrigfavsachvhdefrtaavegpfvtldmedcgynipqtdest
Sequence, based on observed residues (ATOM records): (download)
>4h3iA (A:)
gsfvemvdnlrgksgqgyyvemtvgsppqtlnilvdtgssnfavgaaphpflhryyqrql
sstyrdlrkgvyvpgkwegelgtdlvsiphgpnvtvraniaaitesdkffingsnwegil
glayaeiarpddslepffdslvkqthvpnlfslqlcgagfplnqsevlasvggsmiiggi
dhslytgslwytpirrewyyeviivrveingqdlkmdckeynydksivdsgttnlrlpkk
vfeaavksikaasstekfpdgfwlgeqlvcwqagttpwnifpvislylmgevtnqsfrit
ilpqqylrpvedvatsqddcykfaisqsstgtvmgavimegfyvvfdrarkrigfavsac
hvhdefrtaavegpfvtldmedcgyni
- Chain 'B':
No sequence available.