Immunoinformatic Docking Approach for the Analysis of KIR3DL1/HLA-B Interaction

Table 1

List of HLA-B alleles selected for immune-informatics approach. Alleles were selected depending on Bw4/Bw6 epitope, supertype [15], allele frequency in different population (the observed range of frequency among all the human populations is indicated) [16], and presence of crystallization structure in PDB databank. For each HLA-B supertype, using IEDB database a binding peptide with a similar EC₅₀ value (≈200 nM) was selected.

HLA	Epitope	Supertype	Allele frequency	Peptide	PDB code
				EC50  ≈  200 nM
B*07:02	Bw6	B7	0–0.1	MPVGGQSSF
B*14:02	Bw6	B27	0–0.07	MPAYIRNTL
B*35:01	Bw6	B7	0–0.1	MPVGGQSSF	3LKN
B*27:05	Bw4	B27	0–0.2	MPAYIRNTL	3BP4
B*51:01	Bw4	B7	0–0.08	MPVGGQSSF
B*57:01	Bw4	B58	0–0.06	YTAVVPLVY	3VH8
B*58:01	Bw4	B58	0–0.1	YTAVVPLVY