Structure of PDB 6uvv Chain A

Receptor sequence
>6uvvA (length=393) Species: 9606 (Homo sapiens) [Search protein sequence]
PGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGA
APHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPN
VTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVK
QTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTP
IRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFE
AAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVT
NQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFY
VVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYN
3D structure
PDB6uvv Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints.
ChainA
Resolution1.63 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) D40 S43 N45 A47 Y79 D236 T239
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 QJV A G13 L30 D32 Y71 D228 G230 G21 L38 D40 Y79 D236 G238 MOAD: ic50=6.64uM
PDBbind-CN: -logKd/Ki=5.18,IC50=6.64uM
BindingDB: IC50=6640nM
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:6uvv, PDBe:6uvv, PDBj:6uvv
PDBsum6uvv
PubMed31786008
UniProtP56817|BACE1_HUMAN Beta-secretase 1 (Gene Name=BACE1)

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