2026-02-28_00000140
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ligand
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9M1E
Crystal structure of the CPS-6 H148A/F122A versus cis-resveratrol complex;
X-ray diffraction 2.99Å
Protein #1
252 residues (96% resolved)
Raw Sequence ...
MHHHHHHGSPSRSAEIMKHGYPGFTNVRTYEDFVLSYDYKTRTAHWVCEHLTPERLKHAEGVDRKLCEAKPDITFPQKFLSQNTDYKCSGFDRGALAAAGNHRKSQLAVDQTFYLSNMSPQVGRGFNRDKWNDLEMHCRRVAKKMINSYIITGPLYLPKLEGDGKKYIKYQVIGDNNVAVPTHFFKVALFEVTPGKFELESYILPNAVIEDTVEISKFHVPLDAVERSAGLEIFARLDPKSIVKENGAKKGG
Canonical Sequence ...
MHHHHHHGSPSRSAEIMKHGYPGFTNVRTYEDFVLSYDYKTRTAHWVCEHLTPERLKHAEGVDRKLCEAKPDITFPQKFLSQNTDYKCSGFDRGALAAAGNHRKSQLAVDQTFYLSNMSPQVGRGFNRDKWNDLEMHCRRVAKKMINSYIITGPLYLPKLEGDGKKYIKYQVIGDNNVAVPTHFFKVALFEVTPGKFELESYILPNAVIEDTVEISKFHVPLDAVERSAGLEIFARLDPKSIVKENGAKKGG
Non polymer #2
MG
InChI=1S/Mg/q+2
InChI=1S/Mg/q+2
SMILES: [Mg+2]
[Mg+2]
Non polymer #3
STL
InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
SMILES: c1cc(ccc1\C=C\c2cc(cc(c2)O)O)O
c1cc(ccc1\C=C\c2cc(cc(c2)O)O)O
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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