Structure of PDB 3ckp Chain A

Receptor sequence
>3ckpA (length=379) Species: 9606 (Homo sapiens) [Search protein sequence]
KKGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAP
HPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVT
VRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQT
HVPNLFSLQLCGAGASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVII
VRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASS
TEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQ
QYLRPVESQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVS
ACHVHDEFRTAAVEGPFVTLDMEDCGYNI
3D structure
PDB3ckp Synthesis, SAR, and X-ray structure of human BACE-1 inhibitors with cyclic urea derivatives
ChainA
Resolution2.3 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 D225 T228
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 012 A Q12 G13 L30 D32 G34 P70 Y71 T72 F108 R128 Y198 D228 G230 T231 T232 Q18 G19 L36 D38 G40 P76 Y77 T78 F114 R134 Y195 D225 G227 T228 T229 MOAD: Ki=0.449uM
PDBbind-CN: -logKd/Ki=6.35,Ki=0.449uM
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:3ckp, PDBe:3ckp, PDBj:3ckp
PDBsum3ckp
PubMed18434152
UniProtP56817|BACE1_HUMAN Beta-secretase 1 (Gene Name=BACE1)

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