2025-03-08_00000236
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ligand
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9FD8
Re-engineered peroxygenase variant of 2-deoxy-D-ribose-5-phosphate aldolase, Schiff-base complex with 4-chloro-cinnamaldehyde;
X-ray diffraction 1.58Å
Protein #1
267 residues (92% resolved)
Raw Sequence ...
MTDLKASSLRALKLMDLSTLNGDYTDEKVIALCHQAKTPVGNTAAISVYPRSIPIARKTLKEQGTPEIRIATVTNFPHGNDDIEIALAETRAAIAYGADEVDVVFPYRALMAGNEQVGFDLVKACKEACAAANVLLKVIIETGELKDEALIRKASEISIKAGADFIKTSTGRVAVNATPESARIMMEVIRDMGVEKSVGFKVTGGVSTAEDAQKYLAIADELFGADWADARHYRFSASGLLASLLKALGHGDGKSASSYLEHHHHHH
Canonical Sequence ...
MTDLKASSLRALKLMDLSTLNGDYTDEKVIALCHQAKTPVGNTAAISVYPRSIPIARKTLKEQGTPEIRIATVTNFPHGNDDIEIALAETRAAIAYGADEVDVVFPYRALMAGNEQVGFDLVKACKEACAAANVLLKVIIETGELKDEALIRKASEISIKAGADFIKTSTGRVAVNATPESARIMMEVIRDMGVEKSVGFKVTGGVSTAEDAQKYLAIADELFGADWADARHYRFSASGLLASLLKALGHGDGKSASSYLEHHHHHH
Non polymer #2
A1ICA
InChI=1S/C9H9ClO/c10-9-5-3-8(4-6-9)2-1-7-11/h1-6,11H,7H2/b2-1+
InChI=1S/C9H9ClO/c10-9-5-3-8(4-6-9)2-1-7-11/h1-6,11H,7H2/b2-1+
SMILES: c1cc(ccc1/C=C/CO)Cl
c1cc(ccc1/C=C/CO)Cl
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%