2026-01-31_00000027|ligand|9G6Y

Crystal structure of NUDT5 bound to dNUDT5; X-ray diffraction 1.90Å
Protein #1 219 residues (89% resolved)

MESQEPTESSQNGKQYIISEELISEGKWVKLEKTTYMDPTGKTRTWESVKRTTRKEQTADGVAVIPVLQRTLHYECIVLVKQFRPPMGGYCIEFPAGLIDDGETPEAAALRELEEETGYKGDIAECSPAVCMDPGLSNCTIHIVTVTINGDDAENARPKPKPGDGEFVEVISLPKNDLLQRLDALVAEEHLTVDARVYSYALALKHANAKPFEVPFLKF

MESQEPTESSQNGKQYIISEELISEGKWVKLEKTTYMDPTGKTRTWESVKRTTRKEQTADGVAVIPVLQRTLHYECIVLVKQFRPPMGGYCIEFPAGLIDDGETPEAAALRELEEETGYKGDIAECSPAVCMDPGLSNCTIHIVTVTINGDDAENARPKPKPGDGEFVEVISLPKNDLLQRLDALVAEEHLTVDARVYSYALALKHANAKPFEVPFLKF
Non polymer #2 A1IIY

InChI=1S/C21H21Cl2N9O4/c1-28-16-15(18(33)29(2)21(28)35)32(20(25-16)31-7-5-30(6-8-31)19(24)34)10-14-26-27-17(36-14)11-3-4-12(22)13(23)9-11/h3-4,9H,5-8,10H2,1-2H3,(H2,24,34)

CN1c2c(n(c(n2)N3CCN(CC3)C(=O)N)Cc4nnc(o4)c5ccc(c(c5)Cl)Cl)C(=O)N(C1=O)C
Non polymer #3 MG

InChI=1S/Mg/q+2

[Mg+2]
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Reference