Table 2

Contacts between 2C TCR and H-2Kb–dEV8 peptide-MHC (51). Murine polymorphic MHC residues are marked with an asterisk, and gene segments of CDR3 residues are indicated. vdw, van der Waals; h-b, hydrogen bond; wat, water

CDRTCR Contact pMHC
ResidueAtomResidueAtom
CDR1α Tyr26α polar Arg62 Nη1
vdwCδ,Cγ
Ser27α h-b Glu58 Oε1
vdw
C=O polar Arg62 Nη1
Ala28α vdwArg62
Tyr31α OH-wat h-b P1-Glu Oε1-wat
OH-wat polar P2-Gln C=O-wat
vdw Arg155 * Cδ,Cγ,Nε
h-b Arg155 *
CDR2α Lys48α h-b Glu154 Oε1
Tyr50α Cδ,Cε vdwArg155 * Cβ,Cγ
Ser51α vdwAla158
vdwGly162
h-bGlu166 Oε1
CDR3α Ser93α (V) vdw P4-Lys
Gly99α (J)C=O h-bP4-Lys
Phe100α (J)C=O polar P4-Lys
vdwP4-Lys
Cβ,Cγ,Cδ vdwGln65 Cβ,Cγ
vdwArg62
Ala101α (J) C=O h-bP4-Lys
NH vdw P4-Lys
CDR1β Thr26β C=O-wat polarGln149 Nε-wat
Asn28β vdwLys146
polarGln149
His29β vdw P6-Tyr
Nδ1 polar P6-Tyr
Cε1 vdw Ala150
Asn30β NH h-bP6-Tyr
Oδ1 h-b Lys146
Nδ2 h-b P7-Ser
Asn31β Nδ2 vdwP6-Tyr
CDR2β Tyr50β vdwVal76
Cγ,Cδ vdwSer73 * Cβ,Cα,C=O
Cγ,Cδvdw Gln72 C=O,Cα,Cβ
Ala52β C=O h-bArg79 Nη1
Thr55β C=O polarGln72
Glu56β h-b Gln72
CDR3β Gly97β (D) vdwArg155 * Cδ,Cζ,Nη1
vdwP6-Tyr Cε,Oη