2025-03-22_00000286|ligand|9I0K

Mycobacterium smegmatis inosine monophosphate dehydrogenase (IMPDH) E-XMP* intermediate, compressed; Electron microscopy 2.73Å
Protein #1 513 residues (71% resolved)

MSIAESSVPIAVPVPTGGDDPTKVAMLGLTFDDVLLLPAASDVVPATADTSSQLTKRIRLRVPLVSSAMDTVTESRMAIAMARAGGMGVLHRNLPVAEQAGQVETVKRSEAGMVTDPVTCSPDNTLAEVDAMCARFRISGLPVVDDTGELVGIITNRDMRFEVDQSKPVSEVMTKAPLITAKEGVSAEAALGLLRRHKIEKLPIVDGHGKLTGLITVKDFVKTEQFPLSTKDSDGRLLVGAAVGVGDDAWTRAMTLVDAGVDVLIVDTAHAHNRGVLDMVSRLKQAVGERVDVVGGNVATRAAAAALVEAGADAVKVGVGPGSICTTRVVAGVGAPQITAILEAVAACKPYGVPVIADGGLQYSGDIAKALAAGASTAMLGSLLAGTAESPGELIFVNGKQFKSYRGMGSLGAMQGRGAAKSYSKDRYFQDDVLSEDKLVPEGIEGRVPFRGPLGTVIHQLTGGLRAAMGYTGSATIEQLQQAQFVQITAAGLKESHPHDITMTVEAPNYYTR

MSIAESSVPIAVPVPTGGDDPTKVAMLGLTFDDVLLLPAASDVVPATADTSSQLTKRIRLRVPLVSSAMDTVTESRMAIAMARAGGMGVLHRNLPVAEQAGQVETVKRSEAGMVTDPVTCSPDNTLAEVDAMCARFRISGLPVVDDTGELVGIITNRDMRFEVDQSKPVSEVMTKAPLITAKEGVSAEAALGLLRRHKIEKLPIVDGHGKLTGLITVKDFVKTEQFPLSTKDSDGRLLVGAAVGVGDDAWTRAMTLVDAGVDVLIVDTAHAHNRGVLDMVSRLKQAVGERVDVVGGNVATRAAAAALVEAGADAVKVGVGPGSICTTRVVAGVGAPQITAILEAVAACKPYGVPVIADGGLQYSGDIAKALAAGASTAMLGSLLAGTAESPGELIFVNGKQFKSYRGMGSLGAMQGRGAAKSYSKDRYFQDDVLSEDKLVPEGIEGRVPFRGPLGTVIHQLTGGLRAAMGYTGSATIEQLQQAQFVQITAAGLKESHPHDITMTVEAPNYYTR
Non polymer #2 IMP

InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O
Non polymer #3 K

InChI=1S/K/q+1

[K+]
Non polymer #4 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
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