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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.