Structure of PDB 6u3i Chain A Binding Site BS02

Receptor Information
>6u3i Chain A (length=582) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TATFHRCAKDPWRLPGTYVVVLKEETHLSQSERTARRLQAQAARRGYLTK
ILHVFHGLLPGFLVKMSGDLLELALKLPHVDYIEEDSSVFAQGSLVEVYL
LDTSIQSDHREIEGRVMVTDFENVPEEDGTRFHRQASKCDSHGTHLAGVV
SGRDAGVAKGASMRSLRVLNCQGKGTVSGTLIGLEFIRKSQLVQPVGPLV
VLLPLAGGYSRVLNAACQRLARAGVVLVTAAGNFRDDACLYSPASAPEVI
TVGATNAQDQPVTLGTLGTNFGRCVDLFAPGEDIIGASSDCSTCFVSQSG
TSQAAAHVAGIAAMMLSAEPELTLAELRQRLIHFSAKDVINEAWFPEDQR
VLTPNLVAALPPWQLFCRTVWSAHSGPTRMATAIARCAPDEELLSCSSFS
RSGKRRGERMEAQGGKLVCRAHNAFGGEGVYAIARCCLLPQANCSVHTAP
PAEASMGTRVHCHQQGHVLTGCSSHWEVEDLGTHKPPVLRPRGQPNQCVG
HREASIHASCCHAPGLECKVKEHGIPAPQEQVTVACEEGWTLTGCSALPG
TSHVLGAYAVDNTCVVRSRDAVTAVAICCRSR
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain6u3i Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6u3i Design of Organo-Peptides As Bipartite PCSK9 Antagonists.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		C552 Q554 H557
Binding residue
(residue number reindexed from 1)		C462 Q464 H467
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D186 H226 N317 S386
Catalytic site (residue number reindexed from 1) D102 H142 N233 S302
Enzyme Commision number 3.4.21.-
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
GO:0008236 serine-type peptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:6u3i, PDBe:6u3i, PDBj:6u3i
PDBsum6u3i
PubMed31962046
UniProtQ8NBP7|PCSK9_HUMAN Proprotein convertase subtilisin/kexin type 9 (Gene Name=PCSK9)

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