Structure of PDB 6jsz Chain A

Receptor sequence
>6jszA (length=363) Species: 9606 (Homo sapiens) [Search protein sequence]
ANFLAMVDNLQGGRGYYLEMLIGTPPQKLQILVDTGSSNFAVAGTPHSYI
DTYFDTERSSTYRSKGFDVTVKYTQGSWTGFVGEDLVTIPKGFNTSFLVN
IATIFESENFFLPGIKWNGILGLAYATLAKPSSSLETFFDSLVTQANIPN
VFSMQMCGAGGGSLVLGGIEPSLYKGDIWYTPIKEEWYYQIEILKLEIGG
QSLNLDCREYNADKAIVDSGTTLLRLPQKVFDAVVEAVARASLIPEFSDG
FWTGSQLACWWSYFPKISIYLRDENSSRSFRITILPQLYIQPMYECYRFG
ISPSTNALVIGATVMEGFYVIFDRAQKRVGFAASPCAEIAGAAVSEISGP
FSTEDVASNCVPA
3D structure
PDB6jsz Structure-Based Design of Selective beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors: Targeting the Flap to Gain Selectivity over BACE2.
ChainA
Resolution1.53 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D48 S51 N53 A55 Y87 D241 T244
Catalytic site (residue number reindexed from 1) D34 S37 N39 A41 Y73 D218 T221
Enzyme Commision number 3.4.23.45: memapsin 1.
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 C7O A G27 R28 G29 L46 D48 Y87 I134 D241 G243 T245 A347 G13 R14 G15 L32 D34 Y73 I120 D218 G220 T222 A312 MOAD: ic50=1.9nM
PDBbind-CN: -logKd/Ki=5.68,IC50=2090nM
BindingDB: IC50=2090nM,Ki=1740nM
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:6jsz, PDBe:6jsz, PDBj:6jsz
PDBsum6jsz
PubMed31021626
UniProtQ9Y5Z0|BACE2_HUMAN Beta-secretase 2 (Gene Name=BACE2)

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