2025-01-25_00000153|medium|9AR1

Structure of Epimerase Mth373 bound to uridine-5'-diphosphate-xylopyranose; X-ray diffraction 1.97Å
Protein #1 346 residues (89% resolved)

MHHHHHHGKPIPNPLLGLDSTENLYFQGIDPFTMETQRILVTGGAGFIGTNLVNELRNRGHEVLAVDLMHTEREDYMRADVREYRQVERIFEEDKFDYVYHLAAEYGRWNGEDYYENLWKTNVIGTKHMLRMQEKLGFRMIFFSSAEVYGDYSGLMSEDVMVKNPISDTYQMNDYAITKWAGELMCMNSAEMFGTETVRVRPVNCYGPHEKYSPYKGFIPIFIYHALHRKPYTVYKGHKRIIDYVEDSVRTFANIVDNFIPGEVYNVGGRTEWEHDIKEYSDMVLEAVGIDDSIVTYRESEPFTTKVKTMDFSKAIRDLKHDPQVPPEEGIRRTVEWMKWYYRIED

MHHHHHHGKPIPNPLLGLDSTENLYFQGIDPFTMETQRILVTGGAGFIGTNLVNELRNRGHEVLAVDLMHTEREDYMRADVREYRQVERIFEEDKFDYVYHLAAEYGRWNGEDYYENLWKTNVIGTKHMLRMQEKLGFRMIFFSSAEVYGDYSGLMSEDVMVKNPISDTYQMNDYAITKWAGELMCMNSAEMFGTETVRVRPVNCYGPHEKYSPYKGFIPIFIYHALHRKPYTVYKGHKRIIDYVEDSVRTFANIVDNFIPGEVYNVGGRTEWEHDIKEYSDMVLEAVGIDDSIVTYRESEPFTTKVKTMDFSKAIRDLKHDPQVPPEEGIRRTVEWMKWYYRIED
Non polymer #2 EDO

InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2

C(CO)O
Non polymer #3 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 #4 UDP

InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1

C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O
Non polymer #5 UDX

InChI=1S/C14H22N2O16P2/c17-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)16-2-1-7(18)15-14(16)23/h1-2,5-6,8-13,17,19-22H,3-4H2,(H,24,25)(H,26,27)(H,15,18,23)/t5-,6-,8+,9-,10-,11-,12-,13-/m1/s1

C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O
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Reference