2024-03-23_00000149|medium|8P37

Structure a catalytically inactive mutant of the IMP dehydrogenase related protein GUAB3 from Synechocystis PCC 6803; X-ray diffraction 1.22Å
Protein #1 390 residues (99% resolved)

GSHMNITIGRGKTARRAYGIDEIALVPGVRTLDPALADTRWKVGAIEREIPIIASAMDGVVDSRMAVLLSELGALGVVNLEGIQTRYEDPNPILDRIASVGKTEFVGLMQELYAEPIKPELITKRIQEIQAAGGIAAVSLTPVGASKYASTVAEAGADLLFIQATVVSTAHLSPESVESLDLVKLCQEMPMPVVLGNCVTYEVSLELMRAGAAAVLVGIGPGAASTSRGVLGVGVPQPTAIADCAAARDDYLQETGRYVPVIADGGIITGGDICKCIACGADAVMIGSPIARAAEAPGRGFHWGMATPSPVLPRGTRINVGTTGTIREILVGPAKLDDGTHNLLGAIKTSMGTLGAKDMKEMQQVDVVIAPSLLTEGKVYQKAQQLGMGK

GSHMNITIGRGKTARRAYGIDEIALVPGVRTLDPALADTRWKVGAIEREIPIIASAMDGVVDSRMAVLLSELGALGVVNLEGIQTRYEDPNPILDRIASVGKTEFVGLMQELYAEPIKPELITKRIQEIQAAGGIAAVSLTPVGASKYASTVAEAGADLLFIQATVVSTAHLSPESVESLDLVKLCQEMPMPVVLGNCVTYEVSLELMRAGAAAVLVGIGPGAASTSRGVLGVGVPQPTAIADCAAARDDYLQETGRYVPVIADGGIITGGDICKCIACGADAVMIGSPIARAAEAPGRGFHWGMATPSPVLPRGTRINVGTTGTIREILVGPAKLDDGTHNLLGAIKTSMGTLGAKDMKEMQQVDVVIAPSLLTEGKVYQKAQQLGMGK
Non polymer #2 NAD

InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1

c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N
Non polymer #3 XMP

InChI=1S/C10H13N4O9P/c15-5-3(1-22-24(19,20)21)23-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H2,19,20,21)(H2,12,13,17,18)/p+1/t3-,5-,6-,9-/m1/s1

c1[nH+]c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=O)NC2=O
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Reference