2AJF

Structure of SARS coronavirus spike receptor-binding domain complexed with its receptor

External Resource: Annotation

Domain Annotation: SCOP/SCOPe Classification
Domain Annotation: SCOP2 Classification
Domain Annotation: ECOD Classification
Domain Annotation: CATH
IMGT Antibody Annotation
Protein Family Annotation
Gene Ontology: Gene Product Annotation
InterPro: Protein Family Classification
Pharos: Disease Associations

Domain Annotation: SCOP/SCOPe Classification SCOP-e Database Homepage

Chains	Domain Info	Class	Fold	Superfamily	Family	Domain	Species	Provenance Source (Version)
A	d2ajfa_	Alpha and beta proteins (a+b)	Zincin-like	Metalloproteases ('zincins'), catalytic domain	Neurolysin-like	Angiotensin converting enzyme 2, ACE2	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
B	d2ajfb_	Alpha and beta proteins (a+b)	Zincin-like	Metalloproteases ('zincins'), catalytic domain	Neurolysin-like	Angiotensin converting enzyme 2, ACE2	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
C [auth E]	d2ajfe1	Alpha and beta proteins (a+b)	SARS receptor-binding domain-like	SARS receptor-binding domain-like	SARS receptor-binding domain-like	Spike protein S1	(Severe acute respiratory syndrome-related coronavirus ) [TaxId: 694009 ],	SCOPe (2.08)
D [auth F]	d2ajff_	Alpha and beta proteins (a+b)	SARS receptor-binding domain-like	SARS receptor-binding domain-like	SARS receptor-binding domain-like	Spike protein S1	(Severe acute respiratory syndrome-related coronavirus ) [TaxId: 694009 ],	SCOPe (2.08)

Domain Annotation: SCOP2 Classification SCOP2 Database Homepage

Chains	Type	Family Name	Domain Identifier	Family Identifier	Provenance Source (Version)
A	SCOP2 Family	Neurolysin-like	8024726	4001613	SCOP2 (2022-06-29)
A	SCOP2 Superfamily	Metalloproteases (zincins), catalytic domain	8037105	3001975	SCOP2 (2022-06-29)
B	SCOP2B Superfamily	Metalloproteases (zincins), catalytic domain	8037105	3001975	SCOP2B (2022-06-29)
C [auth E]	SCOP2B Superfamily	SARS coronavirus receptor-binding domain-like	8041894	3001706	SCOP2B (2022-06-29)
D [auth F]	SCOP2B Superfamily	SARS coronavirus receptor-binding domain-like	8041894	3001706	SCOP2B (2022-06-29)

Domain Annotation: ECOD Classification ECOD Database Homepage

Chains	Family Name	Domain Identifier	Architecture	Possible Homology	Homology	Topology	Family	Provenance Source (Version)
A	Peptidase_M2	e2ajfA1	A: mixed a+b and a/b	X: Zincin-like	H: Metalloproteases (zincins) catalytic domain (From Topology)	T: Metalloproteases (zincins) catalytic domain	F: Peptidase_M2	ECOD (1.6)
B	Peptidase_M2	e2ajfB1	A: mixed a+b and a/b	X: Zincin-like	H: Metalloproteases (zincins) catalytic domain (From Topology)	T: Metalloproteases (zincins) catalytic domain	F: Peptidase_M2	ECOD (1.6)
C [auth E]	Spike_rec_bind	e2ajfE1	A: a+b three layers	X: Coronavirus spike protein receptor-binding domain (From Homology)	H: Coronavirus spike protein receptor-binding domain	T: Beta-coronavirus spike protein receptor-binding domain	F: Spike_rec_bind	ECOD (1.6)
D [auth F]	Spike_rec_bind	e2ajfF1	A: a+b three layers	X: Coronavirus spike protein receptor-binding domain (From Homology)	H: Coronavirus spike protein receptor-binding domain	T: Beta-coronavirus spike protein receptor-binding domain	F: Spike_rec_bind	ECOD (1.6)

Domain Annotation: CATH CATH Database Homepage

Chain	Domain	Class	Architecture	Topology	Homology	Provenance Source (Version)
C [auth E]	3.30.70.1840	Alpha Beta	2-Layer Sandwich	Alpha-Beta Plaits	Spike protein, C-terminal core receptor binding subdomain	CATH (4.3.0)
D [auth F]	3.30.70.1840	Alpha Beta	2-Layer Sandwich	Alpha-Beta Plaits	Spike protein, C-terminal core receptor binding subdomain	CATH (4.3.0)

IMGT Antibody Annotation IMGT Database Homepage

Chain	Protein Name	Description	Organism Name	Gene Allele Name(s)	Domain Name(s)	Receptor Type	Receptor Description	Provenance Source
A, B	Angiotensin-converting enzyme 2, in complex	ACE2	Homo sapiens (human), Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)	ACE2*01	R-LIKE-DOMAIN ACE2 (Pr18-805)	RPI	ACE2	IMGT (202446-0)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A, B	PF01401	Angiotensin-converting enzyme (Peptidase_M2)	Angiotensin-converting enzyme	-	Family
C [auth E], D [auth F]	PF09408	Betacoronavirus spike glycoprotein S1, receptor binding (bCoV_S1_RBD)	Betacoronavirus spike glycoprotein S1, receptor binding	This entry represents the receptor binding domain (S1 RBD) of the betacoronavirus spike glycoprotein. The spike glycoprotein is arranged in trimers on the surface of the viral membrane and is essential for viral entry. The spike protein is transla ...	This entry represents the receptor binding domain (S1 RBD) of the betacoronavirus spike glycoprotein. The spike glycoprotein is arranged in trimers on the surface of the viral membrane and is essential for viral entry. The spike protein is translated as a large polypeptide that is subsequently cleaved to the distal S1, responsible for receptor binding, and the membrane-anchored S2 responsible for membrane fusion [1]. The coronavirus (SARS-CoV) S1 subunit is composed of two distinct domains: an N-terminal domain (S1 NTD) and a receptor-binding domain (S1 RBD) also referred to as the S1 CTD or domain B. Each of these domains have been implicated in binding to host receptors. However, most coronaviruses are not known to utilise both the S1 NTD and S1 RBD for viral entry [2]. SARS-CoV makes use of its S1 RBD to bind to the human angiotensin-converting enzyme 2 (ACE2) as its host receptor [3,4].	Domain

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A, B	Angiotensin-converting enzyme-Related Carboxypeptidase (Ace2)	peptidase activity catalytic activity, acting on a protein metallopeptidase activity hydrolase activity catalytic activity protein binding binding virus receptor activity exogenous protein binding peptidyl-dipeptidase activity exopeptidase activity carboxypeptidase activity endopeptidase activity cation binding peptidase activity catalytic activity, acting on a protein metallopeptidase activity hydrolase activity catalytic activity protein binding binding virus receptor activity exogenous protein binding peptidyl-dipeptidase activity exopeptidase activity carboxypeptidase activity endopeptidase activity cation binding transition metal ion binding zinc ion binding ion binding metal ion binding small molecule binding identical protein binding	regulation of systemic arterial blood pressure by renin-angiotensin regulation of systemic arterial blood pressure by hormone multicellular organismal process peptide hormone processing regulation of systemic arterial blood pressure mediated by a chemical signal system process signaling receptor ligand precursor processing protein maturation circulatory system process proteolysis amide metabolic process protein metabolic process regulation of biological quality blood circulation regulation of systemic arterial blood pressure by renin-angiotensin regulation of systemic arterial blood pressure by hormone multicellular organismal process peptide hormone processing regulation of systemic arterial blood pressure mediated by a chemical signal system process signaling receptor ligand precursor processing protein maturation circulatory system process proteolysis amide metabolic process protein metabolic process regulation of biological quality blood circulation regulation of blood pressure regulation of hormone levels biological regulation regulation of systemic arterial blood pressure by circulatory renin-angiotensin primary metabolic process gene expression macromolecule biosynthetic process hormone metabolic process regulation of systemic arterial blood pressure endocrine process biosynthetic process regulation of angiotensin levels in blood protein processing metabolic process cellular process macromolecule metabolic process angiotensin maturation membrane organization cellular component organization membrane fusion cellular component organization or biogenesis heart process regulation of biological process regulation of cardiac conduction regulation of heart contraction regulation of system process regulation of blood circulation cardiac conduction regulation of multicellular organismal process heart contraction regulation of blood volume by renin-angiotensin nervous system process feeding behavior brain renin-angiotensin system behavior drinking behavior angiotensin-mediated drinking behavior nervous system process involved in regulation of systemic arterial blood pressure viral process viral life cycle positive regulation of cellular component organization regulation of cellular process regulation of cellular component organization gap junction assembly positive regulation of biological process cellular component biogenesis cellular component assembly positive regulation of gap junction assembly cell junction assembly positive regulation of cellular process cell-cell junction assembly cell-cell junction organization positive regulation of cellular component biogenesis regulation of gap junction assembly regulation of cellular component biogenesis regulation of cell junction assembly positive regulation of cell junction assembly cell junction organization regulation of localization regulation of transport transport regulation of transmembrane transporter activity establishment of localization regulation of transporter activity transmembrane transport regulation of molecular function localization regulation of transmembrane transport import into cell receptor-mediated endocytosis of virus by host cell biological process involved in interspecies interaction between organisms biological process involved in interaction with host vesicle-mediated transport biological process involved in symbiotic interaction symbiont entry into host cell symbiont entry into host endocytosis involved in viral entry into host cell endocytosis receptor-mediated endocytosis transport of virus multi-multicellular organism process maternal process involved in female pregnancy reproductive process multicellular organismal reproductive process female pregnancy multi-organism reproductive process negative regulation of cell population proliferation cell population proliferation regulation of smooth muscle cell proliferation negative regulation of biological process smooth muscle cell proliferation negative regulation of smooth muscle cell proliferation regulation of cell population proliferation negative regulation of cellular process muscle cell proliferation regulation of tube diameter regulation of tube size regulation of vasoconstriction vascular process in circulatory system blood vessel diameter maintenance vasoconstriction regulation of anatomical structure size cellular response to stimulus response to stimulus signaling negative regulation of signaling negative regulation of intracellular signal transduction regulation of signal transduction intracellular signal transduction negative regulation of cell communication cell communication regulation of intracellular signal transduction intracellular signaling cassette signal transduction regulation of signaling negative regulation of response to stimulus regulation of MAPK cascade negative regulation of signal transduction negative regulation of ERK1 and ERK2 cascade regulation of response to stimulus MAPK cascade regulation of cell communication ERK1 and ERK2 cascade regulation of ERK1 and ERK2 cascade negative regulation of MAPK cascade regulation of signaling receptor activity negative regulation of molecular function negative regulation of signaling receptor activity regulation of biosynthetic process regulation of macromolecule metabolic process regulation of gene expression regulation of cytokine production cytokine production regulation of macromolecule biosynthetic process regulation of metabolic process reactive oxygen species metabolic process positive regulation of reactive oxygen species metabolic process positive regulation of metabolic process regulation of reactive oxygen species metabolic process virion attachment to host cell receptor-mediated virion attachment to host cell adhesion of symbiont to host cell adhesion of symbiont to host regulation of defense response regulation of response to external stimulus defense response regulation of inflammatory response response to external stimulus response to stress regulation of response to stress inflammatory response nitrogen compound transport positive regulation of amine transport amine transport amino acid transport positive regulation of amino acid transport positive regulation of transport regulation of amino acid transport regulation of amine transport aromatic amino acid transport organic anion transport carboxylic acid transport organic cation transport organic acid transport tryptophan transport carboxylic acid transmembrane transport regulation of L-proline import across plasma membrane regulation of proline transport organic acid transmembrane transport import across plasma membrane L-proline transmembrane transport proline transport regulation of amino acid import across plasma membrane L-alpha-amino acid transmembrane transport amino acid import across plasma membrane proline import across plasma membrane regulation of proline import across plasma membrane positive regulation of L-proline import across plasma membrane amino acid transmembrane transport L-amino acid transport positive regulation of transmembrane transport regulation of amino acid transmembrane transport neutral amino acid transport L-proline import across plasma membrane positive regulation of organic acid transport proline transmembrane transport positive regulation of proline import across plasma membrane regulation of organic acid transport entry receptor-mediated virion attachment to host cell positive regulation of blood circulation positive regulation of cardiac muscle contraction cardiac muscle contraction striated muscle contraction positive regulation of striated muscle contraction regulation of cardiac muscle contraction muscle contraction muscle system process regulation of muscle system process positive regulation of heart contraction regulation of striated muscle contraction regulation of muscle contraction positive regulation of muscle contraction positive regulation of multicellular organismal process	membrane-bounded organelle cell projection cellular anatomical structure organelle cilium plasma membrane bounded cell projection membrane cell periphery apical part of cell plasma membrane plasma membrane region apical plasma membrane extracellular exosome extracellular vesicle membrane-bounded organelle cell projection cellular anatomical structure organelle cilium plasma membrane bounded cell projection membrane cell periphery apical part of cell plasma membrane plasma membrane region apical plasma membrane extracellular exosome extracellular vesicle extracellular organelle extracellular region extracellular space vesicle extracellular membrane-bounded organelle cell surface membrane microdomain membrane raft intracellular anatomical structure intracellular vesicle intracellular membrane-bounded organelle intracellular organelle cytoplasmic vesicle membrane bounding membrane of organelle cytoplasmic vesicle vesicle membrane endocytic vesicle membrane cytoplasm organelle membrane endocytic vesicle membrane-enclosed lumen endomembrane system intracellular organelle lumen endoplasmic reticulum lumen organelle lumen endoplasmic reticulum brush border membrane cluster of actin-based cell projections brush border cell projection membrane
C [auth E], D [auth F]	SARS-coronavirus spike protein	host cell surface binding binding host cell surface receptor binding identical protein binding protein binding	viral process fusion of virus membrane with host endosome membrane membrane fusion involved in viral entry into host cell membrane organization cellular component organization membrane fusion cellular process cellular component organization or biogenesis symbiont-mediated perturbation of host defense response suppression by virus of host tetherin activity biological process involved in interspecies interaction between organisms modulation by virus of host process virus-mediated perturbation of host defense response biological process involved in interaction with host viral process fusion of virus membrane with host endosome membrane membrane fusion involved in viral entry into host cell membrane organization cellular component organization membrane fusion cellular process cellular component organization or biogenesis symbiont-mediated perturbation of host defense response suppression by virus of host tetherin activity biological process involved in interspecies interaction between organisms modulation by virus of host process virus-mediated perturbation of host defense response biological process involved in interaction with host biological process involved in symbiotic interaction symbiont-mediated perturbation of host process modulation of process of another organism modulation by virus of host cellular process virion attachment to host cell receptor-mediated virion attachment to host cell adhesion of symbiont to host cell viral life cycle adhesion of symbiont to host fusion of virus membrane with host plasma membrane import into cell transport establishment of localization vesicle-mediated transport localization symbiont entry into host cell symbiont entry into host endocytosis involved in viral entry into host cell endocytosis transport of virus regulation of biological process positive regulation of viral life cycle positive regulation of viral process biological regulation positive regulation of biological process modulation by symbiont of entry into host regulation of viral entry into host cell regulation of viral life cycle regulation of viral process positive regulation of viral entry into host cell positive regulation by symbiont of entry into host regulation of biological process involved in symbiotic interaction response to host defenses response to stimulus response to other organism symbiont-mediated perturbation of host immune response symbiont-mediated perturbation of host defenses response to defenses of other organism response to external stimulus response to biotic stimulus symbiont-mediated suppression of host immune response symbiont-mediated suppression of host innate immune response symbiont-mediated suppression of host defenses symbiont-mediated perturbation of host innate immune response response to host response to external biotic stimulus	cellular anatomical structure membrane host intracellular membrane-bounded organelle host cellular component host intracellular part host cell membrane host cell cytoplasm part host intracellular organelle host cell endoplasmic reticulum-Golgi intermediate compartment membrane host cell endoplasmic reticulum-Golgi intermediate compartment host cell cytoplasm host cell part host intracellular region host cell plasma membrane cellular anatomical structure membrane host intracellular membrane-bounded organelle host cellular component host intracellular part host cell membrane host cell cytoplasm part host intracellular organelle host cell endoplasmic reticulum-Golgi intermediate compartment membrane host cell endoplasmic reticulum-Golgi intermediate compartment host cell cytoplasm host cell part host intracellular region host cell plasma membrane virion component virion membrane viral membrane viral envelope

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A, B	IPR031588	Collectrin domain	Domain
A, B	IPR001548	Peptidase M2, peptidyl-dipeptidase A	Family
C [auth E], D [auth F]	IPR044873	Spike glycoprotein S2, coronavirus, heptad repeat 1	Domain
C [auth E], D [auth F]	IPR018548	Spike (S) protein S1 subunit, receptor-binding domain, betacoronavirus	Domain
C [auth E], D [auth F]	IPR044341	Spike (S) protein S1 subunit, N-terminal domain, SARS-CoV-like	Domain
C [auth E], D [auth F]	IPR032500	Spike glycoprotein S1, N-terminal domain, betacoronavirus-like	Domain
C [auth E], D [auth F]	IPR042578	Spike glycoprotein, betacoronavirus	Family
C [auth E], D [auth F]	IPR036326	Spike S1 subunit, receptor binding domain superfamily, betacoronavirus	Homologous Superfamily
C [auth E], D [auth F]	IPR043002	Spike glycoprotein, N-terminal domain superfamily	Homologous Superfamily
C [auth E], D [auth F]	IPR044874	Spike glycoprotein S2, coronavirus, heptad repeat 2	Domain
C [auth E], D [auth F]	IPR043473	Spike glycoprotein S2 superfamily, coronavirus	Homologous Superfamily
C [auth E], D [auth F]	IPR002552	Spike glycoprotein S2, coronavirus	Domain
C [auth E], D [auth F]	IPR044370	Spike (S) protein S1 subunit, receptor-binding domain, SARS-CoV	Domain

Pharos: Disease Associations Pharos Homepage Annotation

Chains	Drug Target	Associated Disease
A, B	Pharos: Q9BYF1	endomyocardial fibrosis hypertensive disorder abdominal aortic aneurysm inborn carbohydrate metabolic disorder kidney disease Middle East respiratory syndrome obesity disorder adult acute respiratory distress syndrome pulmonary edema common cold Spontaneous abortion COVID-19–associated multisystem inflammatory syndrome in children ulcerative colitis cystic fibrosis heart disease endomyocardial fibrosis hypertensive disorder abdominal aortic aneurysm inborn carbohydrate metabolic disorder kidney disease Middle East respiratory syndrome obesity disorder adult acute respiratory distress syndrome pulmonary edema common cold Spontaneous abortion COVID-19–associated multisystem inflammatory syndrome in children ulcerative colitis cystic fibrosis heart disease influenza nephrosclerosis pneumonia cerebrovascular disorder pulmonary embolism coronary artery disease thrombotic disease Crohn disease diabetes mellitus diarrheal disease Ebola hemorrhagic fever intellectual disability lymphopenia psoriasis chronic obstructive pulmonary disease severe acute respiratory syndrome COVID-19 transitional cell carcinoma cutaneous lupus erythematosus diabetic kidney disease disseminated intravascular coagulation

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.