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Table 5 Distances (Ã…) between the amino acid of the protease and the PI heteroatoms

From: Natural polymorphisms and unusual mutations in HIV-1 protease with potential antiretroviral resistance: a bioinformatic analysis

  

Protease

 

aa/Chain-PIs

 

Protease

 

aa/Chain-PIs

Wild type

Resistant

Emergent

Wild type

Resistant

Emergent

PR-IDV

[2R5P]

[1K6C]

D29V

PR-LPV

[2Q5K]

[1RV7]

D29V

29/A-N2

6.1

6.1

5.4

25/A-O4

5.4

6.8

9.1

29/B-O4

3.9

4.2

4.8

25/B-O4

5.5

7.8

9.9

30/A-N2

6.5

6.6

6.3

29/A-O1

5.8

10.8

6

30/B-O4

6.3

6.4

7

29/B-O3

6

10.3

5.3

82/A-O2

10.1

10.7

11.2

30/A-O1

3.7

9.8

7.1

82/B-N1

6.1

6.2

7.5

30/B-O3

6.7

10.1

5.3

84/A-O2

8.3

8.2

9.3

84/A-O4

8.2

10.1

10.4

84/B-N1

7.9

7.9

8.4

84/B-O3

7.6

8.1

8.2

PR-SQV

[3OXC]

[3CYW]

D29V

PR-RTV

[3NDX]

[1RL8]

D29V

29/A-OD1

4.1

5.3

3.5

29/A-O76

4

3.8

4.9

29/B-N3

6.1

6

7.5

29/B-N5

5.6

4

5.1

30/A-OD1

3.8

4.2

3.8

30/A-O76

6.1

6.1

6.9

30/B-N3

6.5

6.4

7.5

30/B-S3

4

5.5

8.8

48/A-ND2

3.4

5.6

7.9

82/A-N11

9.4

9.5

9.6

48/B-N3

4

6.3

6.3

82/B-O7

10.5

10.3

11.6

PR-APV

[3NU3]

[3NU4]

D29V

PR-DRV

[IT3R]

[2HS1]

D29V

29/A-O6

4.5

4.2

4

29/A-O26

3.9

4.1

10.4

29/B-N3

4.3

4.6

7.6

29/B-N1

4.6

4.4

7.3

30/A-O6

4.5

3.8

3.8

30/A-O26

3.8

3.8

12.3

30/B-N3

3.3

3.7

10.7

30/B-N1

3.8

3.7

9.5

32/A-O6

6.6

6.6

6.9

32/A-O26

7.2

7.5

13.9

32/B-N3

6.3

6.3

15

32/B-N1

6.1

7.6

13.3

PR-TPV

[2O4P]

[1DS4]

D29V

PR-ATV

[3EKY]

[3OXX]

D29V

29/A-N28

6.1

6.2

9.6

29/A-OAI

3.9

5.1

5.6

29/B-O1

9.1

9.4

8.4

29/B-OAJ

3.9

4

8.3

30/A-N28

6.2

6

8.7

30/A-OAI

6.1

6

8.7

30/B-O1

10

10.2

8.6

30/B-OAJ

6

6

8.5

82/A-O8

10.7

10

10.2

50/A-O1

5.7

5.6

4.8

82/B-O7

10.3

9.9

7.7

50/B-O1

5.3

5.4

3.6

84/A-O8

8.3

8.1

8.5

    

84/B-O8

8.4

7.8

8.1

    

PR-NFV

[3EKX]

[2PYM]

D29V

    

29/A-N12

5.9

6.3

5.8

    

29/B-O38

5

4.4

3.8

    

30/A-N12

6.4

6.7

6.3

    

30/B-O38

3.9

3.7

3.7

    
  1. The classification of atoms corresponds to the PDB file visualized in PyMOL. Measurements correspond to the distance between the alpha carbon of the PR amino acids and the heteroatoms of the inhibitor, and are expressed as number of amino acids/chain PR − PI heteroatom.
  2. PIs, protease inhibitors; aa, amino acid; PR, protease; APV, amprenavir; ATV, atazanavir; DRV, darunavir; IDV, indinavir; LPV, lopinavir; RTV, ritonavir; SQV, saquinavir; TPV, tipranavir.