2025-03-29_00000484|ligand|9NER

cis-CaaD E114D mutant with a covalent acrylate intermediate of the hydration of acetylenecarboxylic acid; X-ray diffraction 2.51Å
Protein #1 165 residues (88% resolved)

MPVYMVYVSQDRLTPSAKHAVAKAITDAHRGLTGTQHFLAQVNFQEQPAGNVFLGGVQQGGDTIFVHGLHREGRSADLKGQLAQRIVDDVSVAAEIDRKHIWVYFGEMPAQQMVDYGRFLPQPGHEGEWFDNLSSDERAFMETNVDVSRTENLYFQGLEHHHHHH

MPVYMVYVSQDRLTPSAKHAVAKAITDAHRGLTGTQHFLAQVNFQEQPAGNVFLGGVQQGGDTIFVHGLHREGRSADLKGQLAQRIVDDVSVAAEIDRKHIWVYFGEMPAQQMVDYGRFLPQPGHEGEWFDNLSSDERAFMETNVDVSRTENLYFQGLEHHHHHH
Non polymer #2 A1BXY

InChI=1S/C3H2O2/c1-2-3(4)5/h1H,(H,4,5)

C#CC(=O)O
Non polymer #3 AKR

InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)

C=CC(=O)O
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Reference