Comparison of NMR and X-ray protein-fragment structures.

(A) Superposition of the X-ray structures of the complexes for fragments 1 (red), 2 (blue), 3 (green) and 4 (orange). (B) The NMR-derived binding modes (cyan) are compared to the X-Ray structures (yellow) for fragments 2 (B), 3 (C) and 4 (D). Fragment positions were extracted from the solved X-Ray structure and are displayed in the 3MNG protein structure (used for docking).