2025-03-29_00000488
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ligand
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9NF6
Cg10062 E114N mutant with a covalent hydroxypropionate and acrylate intermediate of the hydration of acetylenecarboxylic acid;
X-ray diffraction 2.63Å
Protein #1
148 residues (100% resolved)
Raw Sequence ...
PTYTCWSQRIRISREAKQRIAEAITDAHHELAHAPKYLVQVIFNEVEPDSYFIAAQSASENHIWVQATIRSGRTEKQKEELLLRLTQEIALILGIPNEEVWVYITEIPGSNMTNYGRLLMEPGEEEKWFNSLPEGLRERLTELEGSSE
Canonical Sequence ...
PTYTCWSQRIRISREAKQRIAEAITDAHHELAHAPKYLVQVIFNEVEPDSYFIAAQSASENHIWVQATIRSGRTEKQKEELLLRLTQEIALILGIPNEEVWVYITEIPGSNMTNYGRLLMEPGEEEKWFNSLPEGLRERLTELEGSSE
Non polymer #2
3OH
InChI=1S/C3H6O3/c4-2-1-3(5)6/h4H,1-2H2,(H,5,6)
InChI=1S/C3H6O3/c4-2-1-3(5)6/h4H,1-2H2,(H,5,6)
SMILES: C(CO)C(=O)O
C(CO)C(=O)O
Non polymer #3
AKR
InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)
InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)
SMILES: C=CC(=O)O
C=CC(=O)O
Biounit #1
homo-trimer
Download coordinates
Biounit #2
homo-trimer
Download coordinates
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Model
Reference
100%