{"display":true,"structure":{"allele":{"alpha":{"identifier":"uniprot:P01901","locus":"h2-k","match_type":"histo:exact","name":"H2-Kb","slug":"h2_kb","species_stem":"H2"},"beta":{}},"assemblies":{"1":{"assembly_name":"1kj3_1","chains":["H","P","L"],"downloaded_at":"2022-11-09T14:38:32.537985"},"2":{"assembly_name":"1kj3_2","chains":["I","Q","M"],"downloaded_at":"2022-11-09T14:38:32.891648"}},"assembly_count":null,"assigned_chains":{"beta2m":{"chains":["L","M"],"match_type":"histo:assign_chains","score":1.0,"sequence":"IQKTPQIQVYSRHPPENGKPNILNCYVTQFHPPHIEIQMLKNGKKIPKVEMSDMSFSKDWSFYILAHTEFTPTETDTYACRVKHDSMAEPKTVYWDRDM"},"class_i_alpha":{"chains":["H","I"],"match_type":"histo:assign_chains","score":0.99,"sequence":"MGPHSLRYFVTAVSRPGLGEPRYMEVGYVDDTEFVRFDSDAENPRYEPRARWMEQEGPEYWERETQKAKGNEQSFRVDLRTLLGYYNQSKGGSHTIQVISGCEVGSDGRLLRGYQQYAYDGCDYIALNEDLKTWTAADMAALITKHKWEQAGEAERLRAYLEGTCVEWLRRYLKNGNATLLRTDSPKAHVTHHSRPEDKVTLRCWALGFYPADITLTWQLNGEELIQDMELVETRPAGDGTFQKWASVVVPLGKEQYYTCHVYHQGLPEPLTLRWEPPP"},"peptide":{"chains":["P","Q"],"match_type":"histo:classify_peptide","sequence":"KVITFIDL"}},"chronology":{"deposition_date":"2001-12-04","deposition_year":2001,"release_date":"2002-03-27","release_year":2002,"revision_date":"2011-07-13","revision_year":2011},"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":"h2-k","manually_edited":{},"missing_residues":[],"page_title":"1KJ3 | H2-Kb binding \"KVITFIDL\"","pdb_code":"1kj3","pdb_title":"Mhc Class I h-2kb molecule complexed with pkb1 peptide","peptide":{"P":{"actual_length":8,"actual_sequence":"KVITFIDL","chain_id":"P","features":["correct_sequence_and_length"],"full_length":8,"full_sequence":"KVITFIDL"},"Q":{"actual_length":8,"actual_sequence":"KVITFIDL","chain_id":"Q","features":["correct_sequence_and_length"],"full_length":8,"full_sequence":"KVITFIDL"}},"peptide_length":8,"peptide_length_name":"octamer","peptide_neighbours":{"1":{"neighbours":[{"position":66,"residue":"LYS"},{"position":63,"residue":"GLU"},{"position":167,"residue":"TRP"},{"position":5,"residue":"LEU"},{"position":59,"residue":"TYR"},{"position":171,"residue":"TYR"},{"position":7,"residue":"TYR"},{"position":163,"residue":"THR"},{"position":159,"residue":"TYR"}],"position":1,"residue":"LYS"},"2":{"neighbours":[{"position":159,"residue":"TYR"},{"position":66,"residue":"LYS"},{"position":7,"residue":"TYR"},{"position":70,"residue":"ASN"},{"position":63,"residue":"GLU"},{"position":45,"residue":"TYR"},{"position":24,"residue":"GLU"}],"position":2,"residue":"VAL"},"3":{"neighbours":[{"position":99,"residue":"SER"},{"position":159,"residue":"TYR"},{"position":66,"residue":"LYS"},{"position":70,"residue":"ASN"},{"position":114,"residue":"GLN"},{"position":156,"residue":"LEU"},{"position":155,"residue":"ARG"}],"position":3,"residue":"ILE"},"4":{"neighbours":[{"position":70,"residue":"ASN"},{"position":66,"residue":"LYS"},{"position":155,"residue":"ARG"}],"position":4,"residue":"THR"},"5":{"neighbours":[{"position":74,"residue":"PHE"},{"position":22,"residue":"TYR"},{"position":116,"residue":"TYR"},{"position":70,"residue":"ASN"},{"position":73,"residue":"SER"},{"position":9,"residue":"VAL"},{"position":114,"residue":"GLN"},{"position":24,"residue":"GLU"},{"position":155,"residue":"ARG"},{"position":97,"residue":"VAL"},{"position":99,"residue":"SER"}],"position":5,"residue":"PHE"},"6":{"neighbours":[{"position":147,"residue":"TRP"},{"position":155,"residue":"ARG"},{"position":116,"residue":"TYR"},{"position":152,"residue":"GLU"},{"position":73,"residue":"SER"},{"position":77,"residue":"ASP"}],"position":6,"residue":"ILE"},"7":{"neighbours":[{"position":77,"residue":"ASP"},{"position":147,"residue":"TRP"},{"position":146,"residue":"LYS"},{"position":143,"residue":"THR"},{"position":73,"residue":"SER"},{"position":76,"residue":"VAL"}],"position":7,"residue":"ASP"},"8":{"neighbours":[{"position":84,"residue":"TYR"},{"position":123,"residue":"TYR"},{"position":146,"residue":"LYS"},{"position":147,"residue":"TRP"},{"position":95,"residue":"ILE"},{"position":142,"residue":"ILE"},{"position":143,"residue":"THR"},{"position":116,"residue":"TYR"},{"position":81,"residue":"LEU"},{"position":77,"residue":"ASP"},{"position":80,"residue":"THR"},{"position":124,"residue":"ILE"}],"position":8,"residue":"LEU"}},"peptide_sequence":"KVITFIDL","pockets":{"a":{"a159":{"number":159,"one_letter":"A","three_letter":"ALA"},"a163":{"number":163,"one_letter":"G","three_letter":"GLY"},"a167":{"number":167,"one_letter":"E","three_letter":"GLU"},"a171":{"number":171,"one_letter":"R","three_letter":"ARG"},"a5":{"number":5,"one_letter":"S","three_letter":"SER"},"a59":{"number":59,"one_letter":"E","three_letter":"GLU"},"a63":{"number":63,"one_letter":"R","three_letter":"ARG"},"a66":{"number":66,"one_letter":"Q","three_letter":"GLN"},"a7":{"number":7,"one_letter":"R","three_letter":"ARG"}},"b":{"a24":{"number":24,"one_letter":"M","three_letter":"MET"},"a34":{"number":34,"one_letter":"F","three_letter":"PHE"},"a45":{"number":45,"one_letter":"R","three_letter":"ARG"},"a63":{"number":63,"one_letter":"R","three_letter":"ARG"},"a66":{"number":66,"one_letter":"Q","three_letter":"GLN"},"a67":{"number":67,"one_letter":"K","three_letter":"LYS"},"a7":{"number":7,"one_letter":"R","three_letter":"ARG"},"a70":{"number":70,"one_letter":"G","three_letter":"GLY"},"a9":{"number":9,"one_letter":"F","three_letter":"PHE"},"a99":{"number":99,"one_letter":"I","three_letter":"ILE"}},"c":{"a70":{"number":70,"one_letter":"G","three_letter":"GLY"},"a73":{"number":73,"one_letter":"Q","three_letter":"GLN"},"a74":{"number":74,"one_letter":"S","three_letter":"SER"},"a9":{"number":9,"one_letter":"F","three_letter":"PHE"},"a97":{"number":97,"one_letter":"Q","three_letter":"GLN"}},"d":{"a114":{"number":114,"one_letter":"Y","three_letter":"TYR"},"a155":{"number":155,"one_letter":"E","three_letter":"GLU"},"a156":{"number":156,"one_letter":"R","three_letter":"ARG"},"a159":{"number":159,"one_letter":"A","three_letter":"ALA"},"a160":{"number":160,"one_letter":"Y","three_letter":"TYR"},"a99":{"number":99,"one_letter":"I","three_letter":"ILE"}},"e":{"a114":{"number":114,"one_letter":"Y","three_letter":"TYR"},"a147":{"number":147,"one_letter":"K","three_letter":"LYS"},"a152":{"number":152,"one_letter":"G","three_letter":"GLY"},"a156":{"number":156,"one_letter":"R","three_letter":"ARG"},"a97":{"number":97,"one_letter":"Q","three_letter":"GLN"}},"f":{"a116":{"number":116,"one_letter":"Q","three_letter":"GLN"},"a123":{"number":123,"one_letter":"D","three_letter":"ASP"},"a143":{"number":143,"one_letter":"I","three_letter":"ILE"},"a146":{"number":146,"one_letter":"H","three_letter":"HIS"},"a147":{"number":147,"one_letter":"K","three_letter":"LYS"},"a77":{"number":77,"one_letter":"V","three_letter":"VAL"},"a80":{"number":80,"one_letter":"R","three_letter":"ARG"},"a81":{"number":81,"one_letter":"T","three_letter":"THR"},"a84":{"number":84,"one_letter":"G","three_letter":"GLY"},"a95":{"number":95,"one_letter":"T","three_letter":"THR"}}},"publication":{"abstract":"The elongated complementary-determining region (CDR) 3beta found in the unliganded KB5-C20 TCR protrudes from the antigen binding site and prevents its docking onto the peptide/MHC (pMHC) surface according to a canonical diagonal orientation. We now present the crystal structure of a complex involving the KB5-C20 TCR and an octapeptide bound to the allogeneic H-2K(b) MHC class I molecule. This structure reveals how a tremendously large CDR3beta conformational change allows the KB5-C20 TCR to adapt to the rather constrained pMHC surface and achieve a diagonal docking mode. This extreme case of induced fit also shows that TCR plasticity is primarily restricted to CDR3 loops and does not propagate away from the antigen binding site.","bibjson":{"author":[{"initials":"JB","lastname":"Reiser","name":"Reiser JB"},{"initials":"C","lastname":"Gr\u00e9goire","name":"Gr\u00e9goire C"},{"initials":"C","lastname":"Darnault","name":"Darnault C"},{"initials":"T","lastname":"Mosser","name":"Mosser T"},{"initials":"A","lastname":"Guimezanes","name":"Guimezanes A"},{"initials":"AM","lastname":"Schmitt-Verhulst","name":"Schmitt-Verhulst AM"},{"initials":"JC","lastname":"Fontecilla-Camps","name":"Fontecilla-Camps JC"},{"initials":"G","lastname":"Mazza","name":"Mazza G"},{"initials":"B","lastname":"Malissen","name":"Malissen B"},{"initials":"D","lastname":"Housset","name":"Housset D"}],"identifier":[{"id":"10.1016/s1074-7613(02)00288-1","type":"doi"},{"id":"11911820","type":"pubmed"}],"issue":["3"],"journal":{"iso_abbreviation":"Immunity","name":""},"pages":["345-54"],"title":"A T cell receptor CDR3beta loop undergoes conformational changes of unprecedented magnitude upon binding to a peptide/MHC class I complex.","type":"article","url":"https://www.sciencedirect.com/science/article/abs/pii/S1074761302002881","volume":["16"],"year":[2002]},"in_pmc":"N","in_pmce":"N","open_access":"N"},"resolution":"2.30","same_as":{"pdbe":{"url":"https://www.ebi.ac.uk/pdbe/entry/pdb/1kj3"},"rcsb":{"url":"https://www.rcsb.org/structure/1kj3"}},"species":{"common_name":"Mouse","match_type":"histo:assign_species","scientific_name":"Mus musculus","slug":"mus_musculus"},"tcr":null,"title":"H2-Kb binding \"KVITFIDL\" at 2.30&#8491; resolution","unique_chain_count":3}}
