PMID- 23984333
OWN - NLM
STAT- MEDLINE
DCOM- 20140318
LR  - 20211021
IS  - 2314-6141 (Electronic)
IS  - 2314-6133 (Print)
VI  - 2013
DP  - 2013
TI  - Immunoinformatic docking approach for the analysis of KIR3DL1/HLA-B interaction.
PG  - 283805
LID - 10.1155/2013/283805 [doi]
LID - 283805
AB  - KIR3DL1 is among the most interesting receptors studied, within the killer 
      immunoglobulin receptor (KIR) family. Human leukocyte antigen (HLA) class I Bw4 
      epitope inhibits strongly Natural Killer (NK) cell's activity through interaction 
      with KIR3DL1 receptor, while Bw6 generally does not. This interaction has been 
      indicated to play an important role in the immune control of different viral 
      infectious diseases. However, the structural interaction between the KIR3DL1 
      receptor and different HLA-B alleles has been scarcely studied. To understand the 
      complexity of KIR3DL1-HLA-B interaction, HLA-B alleles carrying Bw4/Bw6 epitope 
      and KIR3DL1 *001 allele in presence of different peptides has been evaluated by 
      using a structural immunoinformatic approach. Different energy minimization force 
      fields (ff) have been tested and NOVA ff enables the successful prediction of 
      ligand-receptor interaction. HLA-B alleles carrying Bw4 epitope present the 
      highest capability of interaction with KIR3DL1 *001 compared to the HLA-B alleles 
      presenting Bw6. The presence of the epitope Bw4 determines a conformational 
      change which leads to a stronger interaction between nonpolymorphic arginine at 
      position 79 of HLA-B and KIR3DL1 *001 136-142 loop. The data shed new light on the 
      modalities of KIR3DL1 interaction with HLA-B alleles essential for the modulation 
      of NK immune-mediated response.
FAU - Grifoni, Alba
AU  - Grifoni A
AD  - Department of Biology, University of Rome Tor Vergata, Via della Ricerca 
      Scientifica 1, 00133 Rome, Italy.
FAU - Montesano, Carla
AU  - Montesano C
FAU - Patronov, Atanas
AU  - Patronov A
FAU - Colizzi, Vittorio
AU  - Colizzi V
FAU - Amicosante, Massimo
AU  - Amicosante M
LA  - eng
PT  - Journal Article
PT  - Research Support, Non-U.S. Gov't
DEP - 20130801
PL  - United States
TA  - Biomed Res Int
JT  - BioMed research international
JID - 101600173
RN  - 0 (Epitopes)
RN  - 0 (HLA-B Antigens)
RN  - 0 (HLA-Bw4 antigen)
RN  - 0 (KIR3DL1 protein, human)
RN  - 0 (Receptors, KIR3DL1)
RN  - 94ZLA3W45F (Arginine)
SB  - IM
MH  - Alleles
MH  - Arginine/metabolism
MH  - Binding Sites
MH  - *Computational Biology
MH  - Epitopes/immunology
MH  - HLA-B Antigens/*immunology
MH  - Humans
MH  - *Molecular Docking Simulation
MH  - Protein Binding/immunology
MH  - Receptors, KIR3DL1/*immunology
PMC - PMC3747338
EDAT- 2013/08/29 06:00
MHDA- 2014/03/19 06:00
PMCR- 2013/08/01
CRDT- 2013/08/29 06:00
PHST- 2013/04/30 00:00 [received]
PHST- 2013/07/12 00:00 [accepted]
PHST- 2013/08/29 06:00 [entrez]
PHST- 2013/08/29 06:00 [pubmed]
PHST- 2014/03/19 06:00 [medline]
PHST- 2013/08/01 00:00 [pmc-release]
AID - 10.1155/2013/283805 [doi]
PST - ppublish
SO  - Biomed Res Int. 2013;2013:283805. doi: 10.1155/2013/283805. Epub 2013 Aug 1.