Structure of PDB 5qd7 Chain A

Receptor sequence
>5qd7A (length=377) Species: 9606 (Homo sapiens) [Search protein sequence]
SFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPF
LHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRA
NIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVP
NLFSLQLCGASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEI
NGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFP
DGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRP
VEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSA
CHVHDEFRTAAVEGPFVTLDMEDCGYN
3D structure
PDB5qd7 D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
ChainA
Resolution2.12 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) D35 S38 N40 A42 Y74 D220 T223
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 0BI A G11 Q12 L30 D32 G34 Y71 T72 Q73 F108 I110 W115 Y198 I226 D228 G230 T231 T232 R235 G14 Q15 L33 D35 G37 Y74 T75 Q76 F111 I113 W118 Y190 I218 D220 G222 T223 T224 R227
Gene Ontology
Molecular Function
GO:0004190 aspartic-type endopeptidase activity
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0016020 membrane

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Cellular Component
External links
PDB RCSB:5qd7, PDBe:5qd7, PDBj:5qd7
PDBsum5qd7
PubMed31974851
UniProtP56817|BACE1_HUMAN Beta-secretase 1 (Gene Name=BACE1)

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