2025-03-29_00000490|ligand|9NFD

cis-CaaD E114N mutant with acetylenecarboxylic acid substrate and hydration product malonic semialdehyde; X-ray diffraction 2.30Å
Protein #1 164 residues (88% resolved)

PVYMVYVSQDRLTPSAKHAVAKAITDAHRGLTGTQHFLAQVNFQEQPAGNVFLGGVQQGGDTIFVHGLHREGRSADLKGQLAQRIVDDVSVAAEIDRKHIWVYFGEMPAQQMVNYGRFLPQPGHEGEWFDNLSSDERAFMETNVDVSRTENLYFQGLEHHHHHH

PVYMVYVSQDRLTPSAKHAVAKAITDAHRGLTGTQHFLAQVNFQEQPAGNVFLGGVQQGGDTIFVHGLHREGRSADLKGQLAQRIVDDVSVAAEIDRKHIWVYFGEMPAQQMVNYGRFLPQPGHEGEWFDNLSSDERAFMETNVDVSRTENLYFQGLEHHHHHH
Non polymer #2 A1BXY

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

C#CC(=O)O
Non polymer #3 FK2

InChI=1S/C3H4O3/c4-2-1-3(5)6/h2H,1H2,(H,5,6)

C(C=O)C(=O)O
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Reference