Structure of PDB 2qtw Chain B Binding Site BS01

Receptor Information
>2qtw Chain B (length=486) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SIPWNLERITPPRYRGGSLVEVYLLDTSIQSDHREIEGRVMVTDFENVPE
EDASKCDSHGTHLAGVVSGRDAGVAKGASMRSLRVLNCQGKGTVSGTLIG
LEFIRKSQLVQPVGPLVVLLPLAGGYSRVLNAACQRLARAGVVLVTAAGN
FRDDACLYSPASAPEVITVGATNAQDQPVTLGTLGTNFGRCVDLFAPGED
IIGASSDCSTCFVSQSGTSQAAAHVAGIAAMMLSAEPELTLAELRQRLIH
FSAKDVINEAWFPEDQRVLTPNLVAALPPSTHGWQLFCRTVWSAHSGPTR
MATAIARCAPDEELLSCSSFSRSGKRRGERMEAQGGKLVCRAHNAFGGEG
VYAIARCCLLPQANCSVHTAPPAEASMGTRVHCHQQGHVLTGCSSHWEVE
DLQPNQCVGHREASIHASCCHAPGLECKVKEHGIPQEQVTVACEEGWTLT
GCSALPSHVLGAYAVDNTCVVRSRAVTAVAICCRSR
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 chain2qtw Chain B Residue 1 [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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PDB2qtw The self-inhibited structure of full-length PCSK9 at 1.9 A reveals structural homology with resistin within the C-terminal domain.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		V333 T335 C358 D360
Binding residue
(residue number reindexed from 1)		V166 T168 C191 D193
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D186 H226 N317 S386
Catalytic site (residue number reindexed from 1) D26 H59 N150 S219
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:2qtw, PDBe:2qtw, PDBj:2qtw
PDBsum2qtw
PubMed17804797
UniProtQ8NBP7|PCSK9_HUMAN Proprotein convertase subtilisin/kexin type 9 (Gene Name=PCSK9)

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