Structure of PDB 4acx Chain A

Receptor sequence
>4acxA (length=370) Species: 9606 (Homo sapiens) [Search protein sequence]
FVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFL
HRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRAN
IAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPN
LFSLQLCGGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQD
LKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFW
LGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDV
ATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVH
DEFRTAAVEGPFVTLEDCGY
3D structure
PDB4acx Aminoimidazoles as BACE-1 inhibitors: the challenge to achieve in vivo brain efficacy.
ChainA
Resolution2.0 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D32 S35 N37 A39 Y71 D228 T231
Catalytic site (residue number reindexed from 1) D34 S37 N39 A41 Y73 D216 T219
Enzyme Commision number 3.4.23.46: memapsin 2.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 S8Z A Q12 G13 L30 D32 S35 N37 Y71 Q73 W76 F108 I110 I118 R128 D228 G230 T232 Q14 G15 L32 D34 S37 N39 Y73 Q75 W78 F110 I112 I120 R130 D216 G218 T220 MOAD: ic50=77.6nM
PDBbind-CN: -logKd/Ki=7.11,IC50=77.6nM
Gene Ontology
Molecular Function
GO:0004190 aspartic-type endopeptidase activity
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4acx, PDBe:4acx, PDBj:4acx
PDBsum4acx
PubMed22325942
UniProtP56817|BACE1_HUMAN Beta-secretase 1 (Gene Name=BACE1)

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