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Table 6 Closest distances (Ã…) between docked substrates and residues selected for mutation in initial docked complexes.

From: Computational identification and experimental characterization of substrate binding determinants of nucleotide pyrophosphatase/phosphodiesterase 7

 

PAF 16:0

tail 1-16:0

tail 2-2:0

pNPPC

LPC 16:0

SM 16:0

tail 1-sphingoid

tail 2-16:0

Choline interactions

   F275

4.5

3.7

3.6

3.8

   L107

7.2

7.5

5.6

8.2

Tail 1 Interactions

   L107

4.5

6.2

5.1

3.9

   F80

6.2

9.5

6.1

7.1

   Y166

4.8

7.4

4.8

3.6

   Y142

6.9

6.5

6.9

8.8

Tail 2 Interactions

   E169

4.0

  

5.8