Journal:IUCrJ:S2052252521005340

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[[Image:Figure_1bbb.png|thumb|350px|left|'''Figure 1b''' Crystals of RoAb13 complexed with the PIYDIN peptide]]
[[Image:Figure_1bbb.png|thumb|350px|left|'''Figure 1b''' Crystals of RoAb13 complexed with the PIYDIN peptide]]
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After a long search for co-crystallization conditions involving both the whole N-terminal region of CCR5 and the minimally required binding region to its antibody (the ‘core peptide’), and the analysis and comparison of X-ray crystallographic electron density maps obtained from several crystals, we have finally located the core peptide of the CCR5 receptor bound to RoAb13. It binds at the hypervariable region ‘CDR3’ of the antibody’s light chain, an expected antigen-binding site. In spite of the fact that the best attainable resolution is not particularly high at 3 Å, we have been able to identify the interacting residues between antibody and peptide:
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After a long search for co-crystallization conditions involving both the whole N-terminal region of CCR5 and the minimally required binding region to its antibody (the ‘core peptide’), and the analysis and comparison of X-ray crystallographic electron density maps obtained from several crystals, we have finally located the core peptide of the CCR5 receptor bound to RoAb13. It binds at the hypervariable region ‘CDR3’ of the antibody’s light chain, an expected antigen-binding site. In spite of the fact that the best attainable resolution is not particularly high at 3 Å, we have been able to identify the interacting residues between antibody and peptide.
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*<scene name='88/884898/Cv/23'>PIYDIN of the 31 peptide study</scene>. PIYDIN is colored in orange, antibody RoAb13 in cyan/green.
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*<scene name='88/884898/Cv/21'>PIYDIN only study</scene>. PIYDIN is colored in magenta.
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<scene name='88/884898/Cv/23'>The PIYDIN of the 31 peptide study</scene>; PIYDIN is colored in orange, antibody RoAb13 in cyan/green. We observe that, in the case of the PIYDIN part of the 31 peptide, <scene name='88/884898/Cv/26'>Pro8</scene> of the ligand is near (approximately within 3.5 Å of) tyrosines 98 and 100, and <scene name='88/884898/Cv/27'>Ile12 near Tyr98</scene> of the Light chain. <scene name='88/884898/Cv/28'>Tyr10 of the ligand comes near Asp61 and Arg64</scene> of the Heavy chain.
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<scene name='88/884898/Cv/21'>The PIYDIN only study</scene>; PIYDIN is colored in magenta.
*<scene name='88/884898/Cv/22'>Interacting residues between antibody and peptide PIYDIN. Both cases</scene>.
*<scene name='88/884898/Cv/22'>Interacting residues between antibody and peptide PIYDIN. Both cases</scene>.
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We observe that, in the case of the PIYDIN part of the 31 peptide, <scene name='88/884898/Cv/26'>Pro8</scene> of the ligand is near (approximately within 3.5 Å of) tyrosines 98 and 100, and <scene name='88/884898/Cv/27'>Ile12 near Tyr98</scene> of the Light chain. <scene name='88/884898/Cv/28'>Tyr10 of the ligand comes near Asp61 and Arg64</scene> of the Heavy chain.
 
'''The PIYDIN of the 31 peptide study (Figure 2a):'''
'''The PIYDIN of the 31 peptide study (Figure 2a):'''

Revision as of 12:01, 14 June 2021

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Alexander Berchansky, Jaime Prilusky

This page complements a publication in scientific journals and is one of the Proteopedia's Interactive 3D Complement pages. For aditional details please see I3DC.
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