Table 1 The contacts between C3 TCR and QW9-B*5301

From: Molecular basis of differential HLA class I-restricted T cell recognition of a highly networked HIV peptide

Contacts between C3 and B*5301

CDR loop

TCR residue

HLA residue

Bond type

CDR1α

Asp27

Glu58

HB

Ala29

Trp167

vdw

Ile30

Leu163

vdw

CDR2α

none

none

none

CDR3α

Gln95

Glu58

HB

Gln95

Arg62

HB,vdw

Al96

Gln65

vdw

CDR1β

none

none

none

CDR2β

Val50

Thr73

vdw

Ile54

Thr73

vdw

CDR3β

Try95

Arg151

HB,vdw

Gly98

Gln155

HB

Asn100

Glu154

HB

Try101

Arg151

HB

Try101

Glu154

HB

Contacts between C3 and QW9

CDR loop

TCR residue

Peptide residue

Bond type

CDR1α

none

none

none

CDR2α

none

none

none

CDR3α

Gln95

Gln4

HB

CDR1β

Glu30

Asn8

HB

CDR2β

Val50

Asn8

HB

Val50

Val6

vdw

CDR3β

Thr97

Gln4

HB

Thr97

Val6

HB,vdw

  1. Amino acid residues that contribute to the interaction between the TCR and the peptide-HLA complex are listed in the table. The interacting residues are categorized into three groups: the peptide, the HLA molecule, and each individual CDR loop of the TCR. The top section of the table summarizes the pairwise interacting residues between the TCR’s CDRs and the HLA molecule. The bottom section of the table summarizes the pairwise interacting residues between the CDRs and the QW9 peptide. The interactions are characterized as either hydrogen bond (HB) or van der Waals (vdw), with the van der Waals cutoff distance being ≤ 4 Å.
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