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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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