Skip to main content

Table 2 Potential bond networks formed by HIV-1 Envs and the CCR5 N-terminus

From: A common mechanism of clinical HIV-1 resistance to the CCR5 antagonist maraviroc despite divergent resistance levels and lack of common gp120 resistance mutations

Env gp120 residue CCR5 N-terminal peptide residue Bond type
17-Sens Asn302: Hδ21 sTyr14:OH H
  Asn302: Hδ21 sTyr14:O3 H
  Thr303:HN sTyr14:O2 H
  Ile323:HN sTyr10:O3 H
  Gly441:HN sTyr14:O1 H
17-Res Asn302:Hδ21 sTyr14:OH H
  Asn302:Hδ21 sTyr14:O3 H
  Thr303:HN sTyr14:O2 H
  Arg440:Hη12 Asp11: Oδ1 I
  Arg440:Hη22 Asp11: Oδ1 I
  Gly441:HN sTyr14: Oδ1 H
24-Sens Lys207: Hζ1 sTyr14:O I
  Asn300:Hη21 sTyr14:O3 H
  Asn300:Hη22 sTyr14:O2 H
  Asn302:Hδ22 sTyr14:OH H
  Asn302:Hδ22 sTyr14:O3 H
  Thr303:HN sTyr14:O2 H
  Gly441:HN sTyr14:O1 H
24-Res Arg298:Hη21 sTyr14:OH I
  Arg298:Hη22 sTyr14:OH I
  Arg298:Hη22 sTyr14:O1 I
  Asn302:Hδ21 sTyr14:OH H
  Asn302:Hδ21 sTyr14:O3 H
  Thr303:HN sTyr14:O2 H
  Arg327:Hη11 sTyr14:O1 I
  Arg327:Hη11 sTyr14:O3 I
  Arg327:Hη12 sTyr14:O2 I
  Arg327:Hη22 sTyr14:Oδ1 I
  1. The gp120 residues involved in interactions with the CCR5 N-terminus are numbered according to the HXB2 gp120 sequence. Bonding networks were determined as described in Methods. H, Hydrogen bond; I, Ionic hydrogen bond; Hη21, delta hydrogen atom 1; HN, backbone nitrogen; Hη11, eta hydrogen atom 1,1; Hη12, eta hydrogen atom 1,2; Hη21, eta hydrogen atom 2,1; Hη22, eta hydrogen atom 2,2; Hη1, zeta hydrogen atom 1; OH, hydroxyl; O, oxygen; O1, oxygen atom 1; O2; oxygen atom 2; O3, oxygen atom 3; Oδ1, delta oxygen atom 1.