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"MFVFLVLLPLVSSQCVNLTTRTQLPPAYTNSFTRGVYYPDKVFRSSVLHSTQDLFLPFFSNVTWFHAIHVSGTNGTKRFDNPVLPFNDGVYFASTEKSNIIRGWIFGTTLDSKTQSLLIVNNATNVVIKVCEFQFCNDPFLGVYYHKNNKSWMESEFRVYSSANNCTFEYVSQPFLMDLEGKQGNFKNLREFVFKNIDGYFKIYSKHTPINLVRDLPQGFSALEPLVDLPIGINITRFQTLLALHRSYLTPGDSSSGWTAGAAAYYVGYLQPRTFLLKYNENGTITDAVDCALDPLSETKCTLKSFTVEKGIYQTSNFRVQPTESIVRFPNITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKSTNLVKNKCVNFNFNGLTGTGVLTESNKKFLPFQQFGRDIADTTDAVRDPQTLEILDITPCSFGGVSVITPGTNTSNQVAVLYQDVNCTEVPVAIHADQLTPTWRVYSTGSNVFQTRAGCLIGAEHVNNSYECDIPIGAGICASYQTQTNSPRRARSVASQSIIAYTMSLGAENSVAYSNNSIAIPTNFTISVTTEILPVSMTKTSVDCTMYICGDSTECSNLLLQYGSFCTQLNRALTGIAVEQDKNTQEVFAQVKQIYKTPPIKDFGGFNFSQILPDPSKPSKRSFIEDLLFNKVTLADAGFIKQYGDCLGDIAARDLICAQKFNGLTVLPPLLTDEMIAQYTSALLAGTITSGWTFGAGAALQIPFAMQMAYRFNGIGVTQNVLYENQKLIANQFNSAIGKIQDSLSSTASALGKLQDVVNQNAQALNTLVKQLSSNFGAISSVLNDILSRLDKVEAEVQIDRLITGRLQSLQTYVTQQLIRAAEIRASANLAATKMSECVLGQSKRVDFCGKGYHLMSFPQSAPHGVVFLHVTYVPAQEKNFTTAPAICHDGKAHFPREGVFVSNGTHWFVTQRNFYEPQIITTDNTFVSGNCDVVIGIVNNTVYDPLQPELDSFKEELDKYFKNHTSPDVDLGDISGINASVVNIQKEIDRLNEVAKNLNESLIDLQELGKYEQYIKWPWYIWLGFIAGLIAIVMVTIMLCCMTSCCSCLKGCCSCGSCCKFDEDDSEPVLKGVKLHYT", + "domains": [ + { + "name": "Spike glycoprotein", + "selection": "14-1273", + "description": "Homotrimer; each monomer consists of a S1 and a S2 subunit (PubMed:32075877, PubMed:32155444, PubMed:32245784). The resulting peplomers protrude from the virus surface as spikes (PubMed:32979942). Interacts with ORF3a protein and ORF7a protein (By similarity) (PubMed:32075877, PubMed:32155444, PubMed:32245784, PubMed:32979942). There are an average of 26 +/-15 spike trimers at the surface of virion particles (PubMed:32979942). Binds to host MBL2 (PubMed:35102342). This binding occurs via glycans and inhibits viral infectivity. Inhibition is effective against alpha, beta, gamma, and delta variants (PubMed:35102342). Interacts with host TFRC; this interaction plays a role in virus internalization (PubMed:36779763). Interacts with host GRM2; this interaction plays a role in virus internalization (PubMed:34903715)" + }, + { + "name": "Spike protein S1", + "selection": "14-685", + "description": "Attaches the virion to the cell membrane by interacting with host receptor, initiating the infection. The major receptor is host ACE2 (PubMed:32142651, PubMed:32155444, PubMed:33607086). When S2/S2' has been cleaved, binding to the receptor triggers direct fusion at the cell membrane (PubMed:34561887). When S2/S2' has not been cleaved, binding to the receptor results in internalization of the virus by endocytosis using host TFRC and GRM2 and leading to fusion of the virion membrane with the host endosomal membrane (PubMed:32075877, PubMed:32221306, PubMed:34903715, PubMed:36779763). Alternatively, may use NRP1/NRP2 (PubMed:33082294, PubMed:33082293) and integrin as entry receptors (PubMed:35150743). The use of NRP1/NRP2 receptors may explain the tropism of the virus in human olfactory epithelial cells, which express these molecules at high levels but ACE2 at low levels (PubMed:33082293). The stalk domain of S contains three hinges, giving the head unexpected orientational freedom (PubMed:32817270)\n\nBinds to host ACE2 (PubMed:32075877, PubMed:32132184, PubMed:32155444, PubMed:32221306, PubMed:32225175, PubMed:32225176, PubMed:33607086). RBD also interacts with the N-linked glycan on 'Asn-90' of ACE2 (PubMed:33607086). Cleavage of S generates a polybasic C-terminal sequence on S1 that binds to host Neuropilin-1 (NRP1) and Neuropilin-2 (NRP2) receptors (PubMed:33082293, PubMed:33082294). Interacts with host integrin alpha-5/beta-1 (ITGA5:ITGB1) and with ACE2 in complex with integrin alpha-5/beta-1 (ITGA5:ITGB1) (PubMed:33102950). May interact via cytoplasmic c-terminus with M protein (PubMed:33229438). May interact (via N-terminus) with host bilirubin and biliverdin, thereby preventing antibody binding to the SARS-CoV-2 spike NTD via an allosteric mechanism (PubMed:33888467). May interact with host LRRC15, thereby allowing attachment to host cells (PubMed:36735681)" + }, + { + "name": "Spike protein S2", + "selection": "686-1273", + "description": "Precursor of the fusion protein processed in the biosynthesis of the S protein and the formation of virus particle. Mediates fusion of the virion and cellular membranes by functioning as a class I viral fusion protein. Contains two viral fusion peptides that are unmasked after cleavage. The S2/S2' cleavage occurs during virus entry at the cell membrane by host TMPRSS2 (PubMed:32142651) or during endocytosis by host CSTL (PubMed:32703818, PubMed:34159616). In either case, this triggers an extensive and irreversible conformational change leading to fusion of the viral envelope with the cellular cytoplasmic membrane, releasing viral genomic RNA into the host cell cytoplasm (PubMed:34561887). Under the current model, the protein has at least three conformational states: pre-fusion native state, pre-hairpin intermediate state, and post-fusion hairpin state. During fusion of the viral and target cell membranes, the coiled coil regions (heptad repeats) adopt a trimer-of-hairpins structure and position the fusion peptide in close proximity to the C-terminal region of the ectodomain. Formation of this structure appears to promote apposition and subsequent fusion of viral and target cell membranes" + }, + { + "name": "Spike protein S2'", + "selection": "816-1273", + "description": "Subunit of the fusion protein that is processed upon entry into the host cell. Mediates fusion of the virion and cellular membranes by functioning as a class I viral fusion protein. Contains a viral fusion peptide that is unmasked after S2 cleavage. This cleavage can occur at the cell membrane by host TMPRSS2 or during endocytosis by host CSTL (PubMed:32703818, PubMed:34159616). In either case, this triggers an extensive and irreversible conformational change that leads to fusion of the viral envelope with the cellular cytoplasmic membrane, releasing viral genomic RNA into the host cell cytoplasm (PubMed:34561887). Under the current model, the protein has at least three conformational states: pre-fusion native state, pre-hairpin intermediate state, and post-fusion hairpin state. During fusion of the viral and target cell membranes, the coiled coil regions (heptad repeats) adopt a trimer-of-hairpins structure and position the fusion peptide in close proximity to the C-terminal region of the ectodomain. Formation of this structure appears to promote apposition and subsequent fusion of viral and target cell membranes" + }, + { + "name": "BetaCoV S1-NTD", + "selection": "14-303" + }, + { + "name": "BetaCoV S1-CTD", + "selection": "334-527" + }, + { + "name": "Disordered", + "selection": "1-26, 67-80, 142-164, 173-185, 246-262, 319-335, 455-490, 519-541, 621-640, 673-687, 828-853" + }, + { + "name": "Putative superantigen; may bind T-cell receptor alpha/TRAC", + "selection": "280-301" + }, + { + "name": "Receptor-binding domain (RBD)", + "selection": "319-541" + }, + { + "name": "Integrin-binding motif;", + "selection": "403-405" + }, + { + "name": "Receptor-binding motif; binding to human ACE2", + "selection": "437-508" + }, + { + "name": "Immunodominant HLA epitope recognized by the CD8+; called NF9 peptide", + "selection": "448-456" + }, + { + "name": "Putative superantigen; may bind T-cell receptor beta/TRBC1", + "selection": "681-684" + }, + { + "name": "Fusion peptide 1", + "selection": "816-837" + }, + { + "name": "Fusion peptide 2", + "selection": "835-855" + }, + { + "name": "Heptad repeat 1", + "selection": "920-970" + }, + { + "name": "Heptad repeat 2", + "selection": "1163-1202" + }, + { + "name": "Binding to host endocytosis trafficking protein SNX27", + "selection": "1237-1241" + }, + { + "name": "Diacidic ER export motif (host COPII)", + "selection": "1257-1262" + }, + { + "name": "Binding to host plasma membrane localising/FERM domain proteins", + "selection": "1261-1267" + }, + { + "name": "KxHxx, ER retrieval signal (COPI)", + "selection": "1269-1273" + }, + { + "name": "Cleavage; by host furin", + "selection": "685-686" + }, + { + "name": "Cleavage; by host TMPRSS2 or CTSL", + "selection": "815-816" + } + ], + "functions": [ + "host cell surface receptor binding", + "identical protein binding", + "receptor ligand activity", + "structural constituent of virion" + ], + "ref_type": "proteins" + }, + { + "id": "6ZDG", + "title": "Association of three complexes of largely structurally disordered Spike ectodomain with bound EY6A Fab", + "class": "VIRAL PROTEIN", + "authors": [ + "Duyvesteyn, H.M.E.", + "Zhou, D.", + "Zhao, Y.", + "Fry, E.E.", + "Ren, J.", + "Stuart, D.I." + ], + "date": "2020-07-29T00:00:00Z", + "method": "ELECTRON MICROSCOPY", + "chain_uniprots": { + "A": "P0DTC2", + "D": "P0DTC2", + "G": "P0DTC2" + }, + "organisms": [ + "Severe acute respiratory syndrome coronavirus 2", + "Homo sapiens", + "Homo sapiens" + ], + "ref_type": "pdbs" + }, + { + "sequence": "TNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCG", + "interproscan": { + "results": [ + { + "sequence": "TNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCG", + "md5": "b3353441773d53c00131110c6c260525", + "matches": [ + { + "signature": { + "accession": "G3DSA:3.30.70.1840", + "name": "", + "description": null, + "signatureLibraryRelease": { + "library": "GENE3D", + "version": "4.3.0" + }, + "entry": null + }, + "locations": [ + { + "start": 1, + "end": 149, + "representative": false, + "hmmStart": 7, + "hmmEnd": 132, + "hmmLength": 152, + "hmmBounds": "N_TERMINAL_COMPLETE", + "evalue": 4.6e-47, + "score": 161.4, + "envelopeStart": 1, + "envelopeEnd": 152, + "postProcessed": true, + "location-fragments": [ + { + "start": 1, + "end": 149, + "dc-status": "CONTINUOUS" + } + ] + }, + { + "start": 150, + "end": 194, + "representative": false, + "hmmStart": 115, + "hmmEnd": 148, + "hmmLength": 152, + "hmmBounds": "C_TERMINAL_COMPLETE", + "evalue": 7e-11, + "score": 44, + "envelopeStart": 147, + "envelopeEnd": 194, + "postProcessed": true, + "location-fragments": [ + { + "start": 150, + "end": 194, + "dc-status": "CONTINUOUS" + } + ] + } + ], + "evalue": 1.7e-60, + "score": 205.1, + "model-ac": "2ghvC01" + }, + { + "signature": { + "accession": "PS51921", + "name": "BCOV_S1_CTD", + "description": "Betacoronavirus spike (S) glycoprotein S1 subunit C-terminal (CTD) domain profile.", + "signatureLibraryRelease": { + "library": "PROSITE_PROFILES", + "version": "2023_05" + }, + "entry": { + "accession": "IPR018548", + "name": "Spike_S1_RBD_bCoV", + "description": "Spike (S) protein S1 subunit, receptor-binding domain, betacoronavirus", + "type": "DOMAIN", + "goXRefs": [] + } + }, + "locations": [ + { + "start": 2, + "end": 194, + "representative": true, + "score": 64.215553, + "alignment": "NLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNN----LDSKVGGNYNYLYRLFRKSNLkpFERDISTEIYQAGSTPCNG----------------VE-------GFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAP-ATVCG-", + "location-fragments": [ + { + "start": 2, + "end": 194, + "dc-status": "CONTINUOUS" + } + ] + } + ], + "model-ac": "PS51921" + }, 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(S) protein S1 subunit, receptor-binding domain, betacoronavirus", + "type": "DOMAIN", + "goXRefs": [] + } + }, + "locations": [ + { + "start": 17, + "end": 194, + "representative": false, + "hmmStart": 2, + "hmmEnd": 181, + "hmmLength": 181, + "hmmBounds": "C_TERMINAL_COMPLETE", + "evalue": 1.6e-39, + "score": 147.6, + "envelopeStart": 16, + "envelopeEnd": 194, + "postProcessed": true, + "location-fragments": [ + { + "start": 17, + "end": 194, + "dc-status": "CONTINUOUS" + } + ] + } + ], + "evalue": 1.3e-39, + "score": 147.9, + "model-ac": "PF09408" + } + ], + "xref": [ + { + "name": "chain X", + "id": "chain" + } + ] + } + ] + }, + "version": "0.1", + "ref_type": "chains" + } + ], + "chains": { + "list": [], + "items": {} + }, + "analyses": { + "list": [ + "mem-map", + "clusters", + "clusters-00", + "fluctuation", + "pca", + "pockets", + "rgyr", + "rmsd-pairwise", + "rmsd-perres", + "rmsds", + "sasa", + "tmscores" + ], + "items": { + "mem-map": { + "n_mems": 0, + "mems": {}, + 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