Structure of PDB 8toq Chain A Binding Site BS01

Receptor Information

>8toq Chain A (length=592) Species: 9606 (Homo sapiens)

QSTIEEQAKTFLDKFNHEAEDLFYQSSLASWNYNTNITEENVQNMNNAGD
KWSAFLKEQSTLAQMYPLQEIQNLTVKLQLQALQQNGSSVLSEDKSKRLN
TILNTMSTIYSTGKVCNPDNPQECLLLEPGLNEIMANSLDYNERLWAWES
WRSEVGKQLRPLYEEYVVLKNEMARANHYEDYGDYWRGDYEVNGVDGYDY
SRGQLIEDVEHTFEEIKPLYEHLHAYVRAKLMNAYPSYISPIGCLPAHLL
GDMWGRFWTNLYSLTVPFGQKPNIDVTDAMVDQAWDAQRIFKEAEKFFVS
VGLPNMTQGFWENSMLTDPAVCHPTAWDLGKGDFRILMCTKVTMDDFLTA
HHEMGHIQYDMAYAAQPFLLRNGANEGFHEAVGEIMSLSAATPKHLKSIG
LLSPDFQEDNETEINFLLKQALTIVGTLPFTYMLEKWRWMVFKGEIPKDQ
WMKKWWEMKREIVGVVEPVPHDETYCDPASLFHVSNDYSFIRYYTRTLYQ
FQFQEALCQAAKHEGPLHKCDISNSTEAGQKLFNMLRLGKSEPWTLALEN
VVGAKNMNVRPLLNYFEPLFTWLKDQNKNSFVGWSTDWSPYA

Ligand information

>8toq Chain E (length=12) Species: 32630 (synthetic construct)

YVFRSLRTPFIV

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8toq Discovery of High Affinity Cyclic Peptide Ligands for Human ACE2 with SARS-CoV-2 Entry Inhibitory Activity.
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): F40 S44 S47 N51 M62 G66 W69 L73 A99 L100 Q102 Y202 D350 F390 L391
• Binding residue (residue number reindexed from 1): F23 S27 S30 N34 M45 G49 W52 L56 A82 L83 Q85 Y185 D328 F368 L369

Enzymatic activity

• Enzyme Commision number: 3.4.17.-
  3.4.17.23: angiotensin-converting enzyme 2.

Gene Ontology

Molecular Function

• GO:0008237 metallopeptidase activity
• GO:0008241 peptidyl-dipeptidase activity

Biological Process

• GO:0006508 proteolysis

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:8toq, PDBe:8toq, PDBj:8toq
• PDBsum: 8toq
• PubMed: 38085789
• UniProt: Q9BYF1|ACE2_HUMAN Angiotensin-converting enzyme 2 (Gene Name=ACE2)