Structure of PDB 3wb5 Chain A

Receptor sequence
>3wb5A (length=361) Species: 9606 (Homo sapiens) [Search protein sequence]
FVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFL
HRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRAN
IAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPN
LFSLQLCGASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEIN
GQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPD
GFWLGEQLVCWQAGWNIFPVISLYLMGEVTNQSFRITILPQQYLRPYKFA
ISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDFRTAAVEGPF
VTLDMEDCGYN
3D structure
PDB3wb5 Conformational restriction approach to beta-secretase (BACE1) inhibitors III: Effective investigation of the binding mode by combinational use of X-ray analysis, isothermal titration calorimetry and theoretical calculations
ChainA
Resolution2.501 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 D219 T222
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 0B4 A D32 Y71 F108 D228 D34 Y73 F110 D219 MOAD: Kd=26.8uM
PDBbind-CN: -logKd/Ki=4.57,Kd=26.8uM
Gene Ontology
Molecular Function
GO:0004190 aspartic-type endopeptidase activity
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0016020 membrane

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Biological Process
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Cellular Component
External links
PDB RCSB:3wb5, PDBe:3wb5, PDBj:3wb5
PDBsum3wb5
PubMed24051074
UniProtP56817|BACE1_HUMAN Beta-secretase 1 (Gene Name=BACE1)

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