2024-09-07_00000113|ligand|8RYZ

Structures of selenoneine synthase SenA from Variovorax paradoxus; X-ray diffraction 2.02Å
Protein #1 416 residues (97% resolved)

MDSTLPVYSVAGAPEALALRAGPPASVRAALLAARRRTLDLADDFRAALGDAYPGIGYAPELNPPLWELGHVAWFQEWWIGRNRQRARGVACEPDHAREPSLLPQADAWYDSGRVAHRTRWALPLPDAEATRDYLERTLAQTLALLDELPPDAHDDALYFFRLVALHEAMHAEAAAYMAEGLGIALREGGVAPQLAEDAELELPAQRLRMGSDAGTGFAFDNELLSHDVSIEPLRIDAQAVSWARFLPFVEAGGYEHPAWWSDAGRDWLARQLLRHPAHLRAAGTGWQQRRGGRWLPLDPQGAAVHLNAHEAEAWCRWAGRRLPTEAEWECAALTLPGFAWGRVWEWTSSPFEPYPGFAPHPYRDYSAPWFGTRRVLRGACHATSAALAHARYRNFFEPHRRDIFAGFRSCRAPGG

MDSTLPVYSVAGAPEALALRAGPPASVRAALLAARRRTLDLADDFRAALGDAYPGIGYAPELNPPLWELGHVAWFQEWWIGRNRQRARGVACEPDHAREPSLLPQADAWYDSGRVAHRTRWALPLPDAEATRDYLERTLAQTLALLDELPPDAHDDALYFFRLVALHEAMHAEAAAYMAEGLGIALREGGVAPQLAEDAELELPAQRLRMGSDAGTGFAFDNELLSHDVSIEPLRIDAQAVSWARFLPFVEAGGYEHPAWWSDAGRDWLARQLLRHPAHLRAAGTGWQQRRGGRWLPLDPQGAAVHLNAHEAEAWCRWAGRRLPTEAEWECAALTLPGFAWGRVWEWTSSPFEPYPGFAPHPYRDYSAPWFGTRRVLRGACHATSAALAHARYRNFFEPHRRDIFAGFRSCRAPGG
Non polymer #2 AVJ

InChI=1S/C9H15N3O2/c1-12(2,3)8(9(13)14)4-7-5-10-6-11-7/h5-6,8H,4H2,1-3H3,(H-,10,11,13,14)/p+1/t8-/m0/s1

C[N+](C)(C)[C@@H](Cc1cnc[nH]1)C(=O)O
Non polymer #3 IMD

InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)/p+1

c1c[nH+]c[nH]1
Non polymer #4 NA

InChI=1S/Na/q+1

[Na+]
Non polymer #5 NHE

InChI=1S/C8H17NO3S/c10-13(11,12)7-6-9-8-4-2-1-3-5-8/h8-9H,1-7H2,(H,10,11,12)

C1CCC(CC1)NCCS(=O)(=O)O
Non polymer #6 NI

InChI=1S/Ni/q+2

[Ni+2]
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Reference