Structure of PDB 7a92 Chain D Binding Site BS01

Receptor Information
>7a92 Chain D (length=588) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STIEEQAKTFLDKFNHEAEDLFYQSSLASWNYNTNITEENVQNMNNAGDK
WSAFLKEQSTLAQMYPLQEIQNLTVKLQLQALQQNGSSVLSEDKSKRLNT
ILNTMSTIYSTGKVCCLLLEPGLNEIMANSLDYNERLWAWESWRSEVGKQ
LRPLYEEYVVLKNEMARANHYEDYGDYWRGDYEVNGVDGYDYSRGQLIED
VEHTFEEIKPLYEHLHAYVRAKLMNAYPSYISPIGCLPAHLLGDMWGRFW
TNLYSLTVPFGQKPNIDVTDAMVDQAWDAQRIFKEAEKFFVSVGLPNMTQ
GFWENSMLTDPGNVQKAVCHPTAWDLGKGDFRILMCTKVTMDDFLTAHHE
MGHIQYDMAYAAQPFLLRNGANEGFHEAVGEIMSLSAATPKHLKSIGLLS
PDFQEDNETEINFLLKQALTIVGTLPFTYMLEKWRWMVFKGEIPKDQWMK
KWWEMKREIVGVVEPVPHDETYCDPASLFHVSNDYSFIRYYTRTLYQFQF
QEALCQAAKHEGPLHKCDISNSTEAGQKLFNMLRLGKSEPWTLALENVVG
AKNMNVRPLLNYFEPLFTWLKDQNKNSFVGWSTDWSPY
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain7a92 Chain D Residue 706 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7a92 Receptor binding and priming of the spike protein of SARS-CoV-2 for membrane fusion.
Resolution4.2 Å
Binding residue
(original residue number in PDB)		H374 H378 E402
Binding residue
(residue number reindexed from 1)		H349 H353 E377
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H345 P346 H374 E375 H378 E402 H505 Y515
Catalytic site (residue number reindexed from 1) H320 P321 H349 E350 H353 E377 H480 Y490
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7a92, PDBe:7a92, PDBj:7a92
PDBsum7a92
PubMed32942285
UniProtQ9BYF1|ACE2_HUMAN Angiotensin-converting enzyme 2 (Gene Name=ACE2)

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