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. 2010 Mar 19;5(3):e9771. doi: 10.1371/journal.pone.0009771

Figure 4. Peptide 24112 interactions with modified HA 1.7 TCR.

Figure 4

(A,B) H bonds and vdW interactions established between peptide 24112 with the HA 1.7 TCR molecule modified according to the Vβ12 clone 3 sequence of protected Aotus 191. (D,E) H bonds and vdW interactions of the peptide 24112 with the HA 1.7 TCR molecule carrying the same Vβ12 family in the Vβ15 clone, modified according to Vβ15 clone 5 sequence of the non-antibody producer, non-protected Aotus monkeys 148. Small black dots correspond to peptide 24112's atoms making contact with modified HA 1.7 TCR molecule atoms. Amino acids conforming each TCR CDR are: in the TCR α-chain (dark pink ribbons shown on top): Tyr24 to Tyr31 for CDR1α (white ribbon), Lys48 to Leu55 for CDR2α (dark green ribbon), and Ser93 to Leu104 for CDR3α (yellow ribbon); in the TCR β-chain CDR (dark blue ribbons on top) residues were: Val24 to Asn31 for CDR1β (light green ribbon), Phe48 to Glu56 for the CDR2β (gold ribbon), and Ala93 to Gly109 for CDR3β (red ribbon) [2], [3], [20]. (B,E) Frontal view of the same complex and view rotated 90°. (C,F) Same H bonds (dark gray) and vdW interactions established between peptide 24112 with Ao191-Vβ12 TCR (left column) and Ao148-Vβ15 TCR (right column), respectively, with their corresponding interatomic distances indicated in Amstrongs (Å). Interactions involving different atoms are highlighted in pale gray, whereas interactions involving the same residues in both complex are not highlighted.