{"display":true,"structure":{"allele":{"alpha":{"identifier":"ipd-imgt:HLA35266","locus":"hla-a","match_type":"histo:fuzzy","name":"HLA-A*02:01","slug":"hla_a_02_01","species_stem":"hla"},"beta":{}},"assemblies":{"1":{"assembly_name":"5eot_1","chains":["A","B","C"],"downloaded_at":"2022-11-09T14:42:28.167627"}},"assembly_count":null,"assigned_chains":{"beta2m":{"chains":["B"],"match_type":"histo:assign_chains","score":0.99,"sequence":"MIQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM"},"class_i_alpha":{"chains":["A"],"match_type":"histo:assign_chains","score":1.0,"sequence":"SHSMRYFFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDGETRKVKAHSQTHRVDLGTLRGYYNQSEAGSHTVQRMYGCDVGSDWRFLRGYHQYAYDGKDYIALKEDLRSWTAADMAAQTTKHKWEAAHVAEQLRAYLEGTCVEWLRRYLENGKETLQRTDAPKTHMTHHAVSDHEATLRCWALSFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGQEQRYTCHVQHEGLPKPLTLRW"},"peptide":{"chains":["C"],"match_type":"histo:classify_peptide","sequence":"GLLPELPAVGG"}},"chronology":{"deposition_date":"2015-11-10","deposition_year":2015,"release_date":"2016-12-07","release_year":2016,"revision_date":"2018-05-09","revision_year":2018},"class":"class_i","classical":true,"complex_type":"class_i_with_peptide","components":["class_i_alpha","beta2m","peptide"],"experimental_method":"X-ray diffraction","facets":{},"ligands":[],"locus":"hla-a","manually_edited":{},"missing_residues":[],"page_title":"5EOT | HLA-A*02:01 binding \"GLLPELPAVGG\"","pdb_code":"5eot","pdb_title":"Structure of hla-a2:01 with peptide g13e","peptide":{"C":{"actual_length":11,"actual_sequence":"GLLPELPAVGG","chain_id":"C","features":["correct_sequence_and_length"],"full_length":11,"full_sequence":"GLLPELPAVGG"}},"peptide_length":11,"peptide_length_name":"undecamer","peptide_neighbours":{"1":{"neighbours":[{"position":33,"residue":"PHE"},{"position":171,"residue":"TYR"},{"position":167,"residue":"TRP"},{"position":5,"residue":"MET"},{"position":159,"residue":"TYR"},{"position":7,"residue":"TYR"},{"position":59,"residue":"TYR"},{"position":66,"residue":"LYS"},{"position":63,"residue":"GLU"}],"position":1,"residue":"GLY"},"10":{"neighbours":[{"position":146,"residue":"LYS"},{"position":84,"residue":"TYR"},{"position":77,"residue":"ASP"},{"position":80,"residue":"THR"},{"position":143,"residue":"THR"}],"position":10,"residue":"GLY"},"11":{"neighbours":[{"position":147,"residue":"TRP"},{"position":146,"residue":"LYS"}],"position":11,"residue":"GLY"},"2":{"neighbours":[{"position":159,"residue":"TYR"},{"position":7,"residue":"TYR"},{"position":9,"residue":"PHE"},{"position":99,"residue":"TYR"},{"position":66,"residue":"LYS"},{"position":63,"residue":"GLU"},{"position":67,"residue":"VAL"},{"position":45,"residue":"MET"},{"position":167,"residue":"TRP"},{"position":70,"residue":"HIS"}],"position":2,"residue":"LEU"},"3":{"neighbours":[{"position":159,"residue":"TYR"},{"position":155,"residue":"GLN"},{"position":114,"residue":"HIS"},{"position":70,"residue":"HIS"},{"position":66,"residue":"LYS"},{"position":156,"residue":"LEU"},{"position":99,"residue":"TYR"}],"position":3,"residue":"LEU"},"4":{"neighbours":[{"position":66,"residue":"LYS"},{"position":159,"residue":"TYR"}],"position":4,"residue":"PRO"},"6":{"neighbours":[{"position":114,"residue":"HIS"},{"position":99,"residue":"TYR"},{"position":97,"residue":"ARG"},{"position":74,"residue":"HIS"},{"position":70,"residue":"HIS"},{"position":73,"residue":"THR"}],"position":6,"residue":"LEU"},"7":{"neighbours":[{"position":114,"residue":"HIS"},{"position":152,"residue":"VAL"},{"position":147,"residue":"TRP"},{"position":156,"residue":"LEU"},{"position":97,"residue":"ARG"},{"position":73,"residue":"THR"},{"position":77,"residue":"ASP"}],"position":7,"residue":"PRO"},"8":{"neighbours":[{"position":97,"residue":"ARG"},{"position":147,"residue":"TRP"},{"position":73,"residue":"THR"},{"position":77,"residue":"ASP"},{"position":143,"residue":"THR"}],"position":8,"residue":"ALA"},"9":{"neighbours":[{"position":147,"residue":"TRP"},{"position":146,"residue":"LYS"},{"position":123,"residue":"TYR"},{"position":97,"residue":"ARG"},{"position":84,"residue":"TYR"},{"position":77,"residue":"ASP"},{"position":80,"residue":"THR"},{"position":116,"residue":"TYR"},{"position":143,"residue":"THR"},{"position":81,"residue":"LEU"}],"position":9,"residue":"VAL"}},"peptide_sequence":"GLLPELPAVGG","pockets":{"a":{"a159":{"number":159,"one_letter":"L","three_letter":"LEU"},"a163":{"number":163,"one_letter":"C","three_letter":"CYS"},"a167":{"number":167,"one_letter":"L","three_letter":"LEU"},"a171":{"number":171,"one_letter":"L","three_letter":"LEU"},"a5":{"number":5,"one_letter":"R","three_letter":"ARG"},"a59":{"number":59,"one_letter":"W","three_letter":"TRP"},"a63":{"number":63,"one_letter":"T","three_letter":"THR"},"a66":{"number":66,"one_letter":"V","three_letter":"VAL"},"a7":{"number":7,"one_letter":"F","three_letter":"PHE"}},"b":{"a24":{"number":24,"one_letter":"V","three_letter":"VAL"},"a34":{"number":34,"one_letter":"R","three_letter":"ARG"},"a45":{"number":45,"one_letter":"E","three_letter":"GLU"},"a63":{"number":63,"one_letter":"T","three_letter":"THR"},"a66":{"number":66,"one_letter":"V","three_letter":"VAL"},"a67":{"number":67,"one_letter":"K","three_letter":"LYS"},"a7":{"number":7,"one_letter":"F","three_letter":"PHE"},"a70":{"number":70,"one_letter":"S","three_letter":"SER"},"a9":{"number":9,"one_letter":"T","three_letter":"THR"},"a99":{"number":99,"one_letter":"G","three_letter":"GLY"}},"c":{"a70":{"number":70,"one_letter":"S","three_letter":"SER"},"a73":{"number":73,"one_letter":"H","three_letter":"HIS"},"a74":{"number":74,"one_letter":"R","three_letter":"ARG"},"a9":{"number":9,"one_letter":"T","three_letter":"THR"},"a97":{"number":97,"one_letter":"M","three_letter":"MET"}},"d":{"a114":{"number":114,"one_letter":"Q","three_letter":"GLN"},"a155":{"number":155,"one_letter":"L","three_letter":"LEU"},"a156":{"number":156,"one_letter":"R","three_letter":"ARG"},"a159":{"number":159,"one_letter":"L","three_letter":"LEU"},"a160":{"number":160,"one_letter":"E","three_letter":"GLU"},"a99":{"number":99,"one_letter":"G","three_letter":"GLY"}},"e":{"a114":{"number":114,"one_letter":"Q","three_letter":"GLN"},"a147":{"number":147,"one_letter":"E","three_letter":"GLU"},"a152":{"number":152,"one_letter":"A","three_letter":"ALA"},"a156":{"number":156,"one_letter":"R","three_letter":"ARG"},"a97":{"number":97,"one_letter":"M","three_letter":"MET"}},"f":{"a116":{"number":116,"one_letter":"A","three_letter":"ALA"},"a123":{"number":123,"one_letter":"I","three_letter":"ILE"},"a143":{"number":143,"one_letter":"K","three_letter":"LYS"},"a146":{"number":146,"one_letter":"W","three_letter":"TRP"},"a147":{"number":147,"one_letter":"E","three_letter":"GLU"},"a77":{"number":77,"one_letter":"L","three_letter":"LEU"},"a80":{"number":80,"one_letter":"L","three_letter":"LEU"},"a81":{"number":81,"one_letter":"R","three_letter":"ARG"},"a84":{"number":84,"one_letter":"Y","three_letter":"TYR"},"a95":{"number":95,"one_letter":"Q","three_letter":"GLN"}}},"publication":{"abstract":"Peptide antigen presentation by major histocompatibility complex (MHC) class I proteins initiates CD8<sup>+</sup> T cell-mediated immunity against pathogens and cancers. MHC I molecules typically bind peptides with 9 amino acids in length with both ends tucked inside the major A and F binding pockets. It has been known for a while that longer peptides can also bind by either bulging out of the groove in the middle of the peptide or by binding in a zigzag fashion inside the groove. In a recent study, we identified an alternative binding conformation of naturally occurring peptides from <i>Toxoplasma gondii</i> bound by HLA-A*02:01. These peptides were extended at the C terminus (P\u03a9) and contained charged amino acids not more than 3 residues after the anchor amino acid at P\u03a9, which enabled them to open the F pocket and expose their C-terminal extension into the solvent. Here, we show that the mechanism of F pocket opening is dictated by the charge of the first charged amino acid found within the extension. Although positively charged amino acids result in the Tyr-84 swing, amino acids that are negatively charged induce a not previously described Lys-146 lift. Furthermore, we demonstrate that the peptides with alternative binding modes have properties that fit very poorly to the conventional MHC class I pathway and suggest they are presented via alternative means, potentially including cross-presentation via the MHC class II pathway.","bibjson":{"author":[{"initials":"SG","lastname":"Remesh","name":"Remesh SG"},{"initials":"M","lastname":"Andreatta","name":"Andreatta M"},{"initials":"G","lastname":"Ying","name":"Ying G"},{"initials":"T","lastname":"Kaever","name":"Kaever T"},{"initials":"M","lastname":"Nielsen","name":"Nielsen M"},{"initials":"C","lastname":"McMurtrey","name":"McMurtrey C"},{"initials":"W","lastname":"Hildebrand","name":"Hildebrand W"},{"initials":"B","lastname":"Peters","name":"Peters B"},{"initials":"DM","lastname":"Zajonc","name":"Zajonc DM"}],"identifier":[{"id":"10.1074/jbc.M117.776542","type":"doi"},{"id":"28179428","type":"pubmed"}],"issue":["13"],"journal":{"iso_abbreviation":"J. Biol. Chem.","name":""},"pages":["5262-5270"],"title":"Unconventional Peptide Presentation by Major Histocompatibility Complex (MHC) Class I Allele HLA-A*02:01: BREAKING CONFINEMENT.","type":"article","url":"https://www.sciencedirect.com/science/article/abs/pii/S0021925820413389","volume":["292"],"year":[2017]},"in_pmc":"N","in_pmce":"Y","open_access":"N"},"resolution":"2.10","same_as":{"pdbe":{"url":"https://www.ebi.ac.uk/pdbe/entry/pdb/5eot"},"rcsb":{"url":"https://www.rcsb.org/structure/5eot"}},"species":{"common_name":"Human","match_type":"histo:assign_species","scientific_name":"Homo sapiens","slug":"homo_sapiens"},"tcr":null,"title":"HLA-A*02:01 binding \"GLLPELPAVGG\" at 2.10&#8491; resolution","unique_chain_count":3}}
