Structure of PDB 6uvp Chain A

Receptor sequence
>6uvpA (length=391) Species: 9606 (Homo sapiens) [Search protein sequence]
RRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAP
HPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVT
VRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQT
HVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIR
REWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAA
VKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQ
SFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVV
FDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYN
3D structure
PDB6uvp Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints.
ChainA
Resolution1.56 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) D38 S41 N43 A45 Y77 D234 T237
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 QJJ A S10 G11 Q12 G13 D32 Y71 I118 D228 G230 T232 S16 G17 Q18 G19 D38 Y77 I124 D234 G236 T238 PDBbind-CN: -logKd/Ki=4.00,IC50>100uM
BindingDB: IC50=>100000nM
BS02 QJM A D363 E364 R366 T367 D369 E370 R372 T373
BS03 QJJ A S164 E165 S170 E171 PDBbind-CN: -logKd/Ki=4.00,IC50>100uM
BindingDB: IC50=>100000nM
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:6uvp, PDBe:6uvp, PDBj:6uvp
PDBsum6uvp
PubMed31786008
UniProtP56817|BACE1_HUMAN Beta-secretase 1 (Gene Name=BACE1)

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