Structure of PDB 5vlk Chain A Binding Site BS03

Receptor Information

>5vlk Chain A (length=355) Species: 9606 (Homo sapiens)

TATFHRCAKDPWRLPGTYVVVLKEETHLSQSERTARRLQAQAARRGYLTK
ILHVFHGLLPGFLVKMSGDLLELALKLPHVDYIEEDSSVFAQGGSLVEVY
LLDTSIQSDHREIEGRVMVTDFENVPEEDSKCDSHGTHLAGVVSGRDAGV
AKGASMRSLRVLNCQGKGTVSGTLIGLEFIRKSQLVQPVGPLVVLLPLAG
GYSRVLNAACQRLARAGVVLVTAAGNFRDDACLYSPASAPEVITVGATNA
QDQPVTLGTLGTNFGRCVDLFAPGEDIIGASSDCSTCFVSQSGTSQAAAH
VAGIAAMMLSAEPELTLAELRQRLIHFSAKDVINEAWFPEDQRVLTPNLV
AALPP

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 5vlk Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5vlk Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists.
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): P331 V333 D360
• Binding residue (residue number reindexed from 1): P240 V242 D269
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D186 H226 N317 S386
• Catalytic site (residue number reindexed from 1): D103 H135 N226 S295
• 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

External links

• PDB: RCSB:5vlk, PDBe:5vlk, PDBj:5vlk
• PDBsum: 5vlk
• PubMed: 28825733
• UniProt: Q8NBP7|PCSK9_HUMAN Proprotein convertase subtilisin/kexin type 9 (Gene Name=PCSK9)