2024-12-07_00000207|ligand|8V90

TtgR variant 3A7 with naltrexone; X-ray diffraction 2.08Å
Protein #1 211 residues (99% resolved)

SMVRRTKEEAQETRAQIIEAAERAFYKRGVARTTLADIAELAGVTRGAIYWHFNNKAELVQALLDSLHETHDHLLRASESEDEVDPLGCMRKLWLQVFNELVLDARTRRIMEILFHKCEFTDDMCEIRQQRQSAVLDCHKGITLALANAVRRGQLPGELDAERAAVAMFAYVDGLIRRWLLLPDSVDLLGDVEKWVDTGLDMLRLSPALRK

SMVRRTKEEAQETRAQIIEAAERAFYKRGVARTTLADIAELAGVTRGAIYWHFNNKAELVQALLDSLHETHDHLLRASESEDEVDPLGCMRKLWLQVFNELVLDARTRRIMEILFHKCEFTDDMCEIRQQRQSAVLDCHKGITLALANAVRRGQLPGELDAERAAVAMFAYVDGLIRRWLLLPDSVDLLGDVEKWVDTGLDMLRLSPALRK
Non polymer #2 MG

InChI=1S/Mg/q+2

[Mg+2]
Non polymer #3 YOE

InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20+/m0/s1

c1cc(c2c3c1C[C@H]4[C@]5([C@@]3(CCN4CC6CC6)[C@H](O2)C(=O)CC5)O)O
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Reference