Structure of PDB 7dwx Chain B Binding Site BS01

Receptor Information
>7dwx Chain B (length=748) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IEEQAKTFLDKFNHEAEDLFYQSSLASWNYNTNITEENVQNMNNAGDKWS
AFLKEQSTLAQMYPLQEIQNLTVKLQLQALQQNGSSVLSEDKSKRLNTIL
NTMSTIYSTGKVCNPDNPQECLLLEPGLNEIMANSLDYNERLWAWESWRS
EVGKQLRPLYEEYVVLKNEMARANHYEDYGDYWRGDYEVNGVDGYDYSRG
QLIEDVEHTFEEIKPLYEHLHAYVRAKLMNAYPSYISPIGCLPAHLLGDM
WGRFWTNLYSLTVPFGQKPNIDVTDAMVDQAWDAQRIFKEAEKFFVSVGL
PNMTQGFWENSMLTDPGNVQKAVCHPTAWDLGKGDFRILMCTKVTMDDFL
TAHHEMGHIQYDMAYAAQPFLLRNGANEGFHEAVGEIMSLSAATPKHLKS
IGLLSPDFQEDNETEINFLLKQALTIVGTLPFTYMLEKWRWMVFKGEIPK
DQWMKKWWEMKREIVGVVEPVPHDETYCDPASLFHVSNDYSFIRYYTRTL
YQFQFQEALCQAAKHEGPLHKCDISNSTEAGQKLFNMLRLGKSEPWTLAL
ENVVGAKNMNVRPLLNYFEPLFTWLKDQNKNSFVGWSTDWSPYADQSIKV
RISLKSALGDKAYEWNDNEMYLFRSSVAYAMRQYFLKVKNQMILFGEEDV
RVANLKPRISFNFFVTAPKNVSDIIPRTEVEKAIRMSRSRINDAFRLNDN
SLEFLGIQPTLGPPNQPPVSIWLIVFGVVMGVIVVGIVILIFTGIRDR
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 chain7dwx Chain B Residue 902 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7dwx Structural basis for the different states of the spike protein of SARS-CoV-2 in complex with ACE2.
Resolution8.3 Å
Binding residue
(original residue number in PDB)		H374 H378 E402
Binding residue
(residue number reindexed from 1)		H354 H358 E382
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) H325 P326 H354 E355 H358 E382 H485 Y495
Enzyme Commision number 3.4.17.-
3.4.17.23: angiotensin-converting enzyme 2.
Gene Ontology
Molecular Function
GO:0001618 virus receptor activity
GO:0004175 endopeptidase activity
GO:0004180 carboxypeptidase activity
GO:0005515 protein binding
GO:0008237 metallopeptidase activity
GO:0008241 peptidyl-dipeptidase activity
GO:0008270 zinc ion binding
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0001817 regulation of cytokine production
GO:0002003 angiotensin maturation
GO:0003051 angiotensin-mediated drinking behavior
GO:0003081 regulation of systemic arterial blood pressure by renin-angiotensin
GO:0006508 proteolysis
GO:0015827 tryptophan transport
GO:0019058 viral life cycle
GO:0019065 receptor-mediated endocytosis of virus by host cell
GO:0019229 regulation of vasoconstriction
GO:0022898 regulation of transmembrane transporter activity
GO:0042127 regulation of cell population proliferation
GO:0046718 symbiont entry into host cell
GO:0046813 receptor-mediated virion attachment to host cell
GO:0048662 negative regulation of smooth muscle cell proliferation
GO:0050727 regulation of inflammatory response
GO:0051957 positive regulation of amino acid transport
GO:0060135 maternal process involved in female pregnancy
GO:0060452 positive regulation of cardiac muscle contraction
GO:0061025 membrane fusion
GO:0070373 negative regulation of ERK1 and ERK2 cascade
GO:0097746 blood vessel diameter maintenance
GO:0098670 entry receptor-mediated virion attachment to host cell
GO:1903598 positive regulation of gap junction assembly
GO:1903779 regulation of cardiac conduction
GO:1905737 positive regulation of L-proline import across plasma membrane
GO:2000272 negative regulation of signaling receptor activity
GO:2000379 positive regulation of reactive oxygen species metabolic process
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005737 cytoplasm
GO:0005788 endoplasmic reticulum lumen
GO:0005886 plasma membrane
GO:0005929 cilium
GO:0009986 cell surface
GO:0016020 membrane
GO:0016324 apical plasma membrane
GO:0030666 endocytic vesicle membrane
GO:0031526 brush border membrane
GO:0042995 cell projection
GO:0045121 membrane raft
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7dwx, PDBe:7dwx, PDBj:7dwx
PDBsum7dwx
PubMed33737693
UniProtQ9BYF1|ACE2_HUMAN Angiotensin-converting enzyme 2 (Gene Name=ACE2)

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