2025-02-22_00000256|ligand|8W39

Vibrio vulnificus SmcR bound to the inhibitor PTSP; X-ray diffraction 2.10Å
Protein #1 201 residues (89% resolved)

MDSIAKRPRTRLSPLKRKQQLMEIALEVFARRGIGRGGHADIAEIAQVSVATVFNYFPTREDLVDEVLNHVVRQFSNFLSDNIDLDLHAKENIANITNAMIELVVQDNHWLKVWFEWSASTRDEVWPLFVTTNRTNQLLVQNMFIKAIERGEVCDQHNPEDLANLFHGICYSLFVQANRTNNTAELSKLVSSYLDMLCIYK

MDSIAKRPRTRLSPLKRKQQLMEIALEVFARRGIGRGGHADIAEIAQVSVATVFNYFPTREDLVDEVLNHVVRQFSNFLSDNIDLDLHAKENIANITNAMIELVVQDNHWLKVWFEWSASTRDEVWPLFVTTNRTNQLLVQNMFIKAIERGEVCDQHNPEDLANLFHGICYSLFVQANRTNNTAELSKLVSSYLDMLCIYK
Non polymer #2 A1AFF

InChI=1S/C13H18N2O2S2/c16-19(17,13-7-4-10-18-13)15-9-8-12(14-15)11-5-2-1-3-6-11/h1-3,5-6,12-14H,4,7-10H2/t12-,13+/m0/s1

c1ccc(cc1)[C@@H]2CCN(N2)S(=O)(=O)[C@@H]3CCCS3
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Reference