FIG. 6.
NDO-O9816-4 bound to 3-nitrotoluene. Wild-type NDO-O9816-4 (yellow balls and sticks) is shown in complex with 3-nitrotoluene (productive conformation). Overlaid is 3-nitrotoluene from NBDO-OJS765 (Protein Data Bank no. 2BMR), shown with pink balls and sticks. This is a different orientation than that observed for NDO-O9816-4. Three residues from NBDO-OJS765, Asn-258, Phe-293, and Ile-350 (pink balls and sticks), which are believed to help control nitroarene orientation in NBDO-OJS765, are overlaid.