Structure of PDB 2w2n Chain A Binding Site BS01

Receptor Information

>2w2n Chain A (length=273) Species: 9606 (Homo sapiens)

SIPWNLERITPPRLVEVYLLDTSIQSDHREIEGRVMVTDFENVPEEDSKC
DSHGTHLAGVVSGRDAGVAKGASMRSLRVLNCQGKGTVSGTLIGLEFIRK
SQLVQPVGPLVVLLPLAGGYSRVLNAACQRLARAGVVLVTAAGNFRDDAC
LYSPASAPEVITVGATNAQDQPVTLGTLGTNFGRCVDLFAPGEDIIGASS
DCSTCFVSQSGTSQAAAHVAGIAAMMLSAEPELTLAELRQRLIHFSAKDV
INEAWFPEDQRVLTPNLVAALPP

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: 2w2n Chain A Residue 1447

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2w2n Structural and Biochemical Characterization of the Wild Type Pcsk9/Egf-Ab Complex and Natural Fh Mutants.
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): A330 V333 T335 D360
• Binding residue (residue number reindexed from 1): A157 V160 T162 D187
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D186 H226 N317 S386
• Catalytic site (residue number reindexed from 1): D21 H53 N144 S213
• 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:2w2n, PDBe:2w2n, PDBj:2w2n
• PDBsum: 2w2n
• PubMed: 19001363
• UniProt: Q8NBP7|PCSK9_HUMAN Proprotein convertase subtilisin/kexin type 9 (Gene Name=PCSK9)