2026-03-21_00000041|medium|28YL

Crystal structure of the zeamine pathway ketoreductase Zmn13-KR, in complex with NADH; X-ray diffraction 1.90Å
Protein #1 258 residues (99% resolved)

GSHMSHQVAVVTGAAGGFGTAIARVLLDIGYQVAAADVSAERLTQLAERLGHPEGLHTFVMDVTQEESIAQAAREIEARLGAALTVLVNNAGVIERSFCLSERGLSGAARVLNVNLLGTFNCTAVFSRYMARLKYGRIINIASIAGIWGAAGGSAYAASKAGVISATESWGRELGPLNISVTAVAPGICKTEMLAQFVDPHMIDTPEEEKIVRSIVPVGRWGTPEDVAEVVGFLASCKTNYLNTTVIPLDGGMRVGTL

GSHMSHQVAVVTGAAGGFGTAIARVLLDIGYQVAAADVSAERLTQLAERLGHPEGLHTFVMDVTQEESIAQAAREIEARLGAALTVLVNNAGVIERSFCLSERGLSGAARVLNVNLLGTFNCTAVFSRYMARLKYGRIINIASIAGIWGAAGGSAYAASKAGVISATESWGRELGPLNISVTAVAPGICKTEMLAQFVDPHMIDTPEEEKIVRSIVPVGRWGTPEDVAEVVGFLASCKTNYLNTTVIPLDGGMRVGTL
Non polymer #2 IPA

InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3

CC(C)O
Non polymer #3 NAI

InChI=1S/C21H29N7O14P2/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/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N
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Reference