Structure of PDB 4omc Chain E Binding Site BS03

Receptor Information

>4omc Chain E (length=465) Species: 9606 (Homo sapiens)

YQEPTDPKFPQQWYLSGVTQRDLNVKAAWAQGYTGHGIVVSILDDGIEKN
HPDLAGNYDPGASFDVNDQDPDPQPRYTQMNDNRHGTRCAGEVAAVANNG
VCGVGVAYNARIGGVRMLDGEVTDAVEARSLGLNPNHIHIYSASWGPEDD
GKTVDGPARLAEEAFFRGVSQGRGGLGSIFVWASGNGGREHDSCNCDGYT
NSIYTLSISSATQFGNVPWYSEACSSTLATTYSSGNQNEKQIVTTDLRQK
CTESHTGTSASAPLAAGIIALTLEANKNLTWRDMQHLVVQTSKPAHLNAN
DWATNGVGRKVSHSYGYGLLDAGAMVALAQNWTTVAPQRKCIIDILTEPK
DIGKRLEVRKTVTACLGEPNHITRLEHAQARLTLSYNRRGDLAIHLVSPM
GTRSTLLAARPHDYSADGFNDWAFMTTHSWDEDPSGEWVLEIENTSEANN
YGTLTKFTLVLYGTA

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: 4omc Chain E Residue 605

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4omc X-ray Structures of Human Furin in Complex with Competitive Inhibitors.
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): D115 D162 V205 N208 V210 G212
• Binding residue (residue number reindexed from 1): D6 D53 V96 N99 V101 G103
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D153 H194
• Catalytic site (residue number reindexed from 1): D44 H85
• Enzyme Commision number: 3.4.21.75: furin.

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:4omc, PDBe:4omc, PDBj:4omc
• PDBsum: 4omc
• PubMed: 24666235
• UniProt: P09958|FURIN_HUMAN Furin (Gene Name=FURIN)