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Table 2 Results of running CE on GlnBP with various ligands.

From: Predicting protein ligand binding motions with the conformation explorer

legend

molecular weight

sRMSD (Å)

glutamine

146

4.56

leucine

146

6.07

cAMP

328

4.98

ATP

503

4.39

T6361

661

5.11

ribose

150

8.80

oxalic acid

88

7.31

SO4

96

12.37

  1. The three small, oxygen-rich ligands (ribose, oxalic acid, and SO4) led to the worst results, because the ligands bound deep inside one of the two domains rather than at the cleft. Other ligands led to results comparable to those of glutamine.
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BMC Bioinformatics

ISSN: 1471-2105

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