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within human leukocyte antigen (HLA) class I molecules can change the architecture of the peptide-binding cleft, leading to differences in peptide presentation and T cell recognition. The impact of such HLA variation on natural killer (NK) cell recognition remains unclear. Given the differential association of HLA-B*57:01 and HLA-B*57:03 with the control of HIV, recognition of these HLA-B57 allomorphs by the killer cell immunoglobulin-like receptor (KIR) 3DL1 was compared. Despite differing by only two polymorphic residues, both buried within the peptide-binding cleft, HLA-B*57:01 more potently inhibited NK cell activation. Direct-binding studies showed KIR3DL1 to preferentially recognize HLA-B*57:01, particularly when presenting peptides with positively charged position (P)\u03a9-2 residues. In HLA-B*57:01, charged P\u03a9-2 residues were oriented toward the peptide-binding cleft and away from KIR3DL1. In HLA-B*57:03, the charged P\u03a9-2 residues protruded out from the cleft and directly impacted KIR3DL1 engagement. Accordingly, KIR3DL1 recognition of HLA class I ligands is modulated by both the peptide sequence and conformation, as determined by the HLA polymorphic framework, providing a rationale for understanding differences in clinical associations.","bibjson":{"author":[{"initials":"PM","lastname":"Saunders","name":"Saunders PM"},{"initials":"BJ","lastname":"MacLachlan","name":"MacLachlan BJ"},{"initials":"P","lastname":"Pymm","name":"Pymm P"},{"initials":"PT","lastname":"Illing","name":"Illing PT"},{"initials":"Y","lastname":"Deng","name":"Deng Y"},{"initials":"SC","lastname":"Wong","name":"Wong SC"},{"initials":"CVL","lastname":"Oates","name":"Oates CVL"},{"initials":"AW","lastname":"Purcell","name":"Purcell AW"},{"initials":"J","lastname":"Rossjohn","name":"Rossjohn J"},{"initials":"JP","lastname":"Vivian","name":"Vivian JP"},{"initials":"AG","lastname":"Brooks","name":"Brooks AG"}],"identifier":[{"id":"10.1073/pnas.1920570117","type":"doi"},{"id":"32404419","type":"pubmed"}],"issue":[null],"journal":{"iso_abbreviation":"Proc. Natl. Acad. Sci. U.S.A.","name":""},"pages":[null],"title":"The molecular basis of how buried human leukocyte antigen polymorphism modulates natural killer cell function.","type":"article","url":"https://pnas.org/doi/full/10.1073/pnas.1920570117","volume":[null],"year":[2020]},"in_pmc":"N","in_pmce":"Y","open_access":"N"},"resolution":"1.98","same_as":{"pdbe":{"url":"https://www.ebi.ac.uk/pdbe/entry/pdb/6v3j"},"rcsb":{"url":"https://www.rcsb.org/structure/6v3j"}},"species":{"common_name":"Human","match_type":"histo:assign_species","scientific_name":"Homo sapiens","slug":"homo_sapiens"},"tcr":null,"title":"HLA-B*57:03 binding \"LSSPVTKSF\" with KIR-3 NK receptor at 1.98Å resolution","unique_chain_count":4}}