2024-03-23_00000317|ligand|9B21

Crystal structure of ADP-ribose diphosphatase from Klebsiella pneumoniae (ADP Ribose bound, Orthorhombic P form); X-ray diffraction 1.60Å
Protein #1 218 residues (94% resolved)

MAHHHHHHMSKPTQQGITFSKNDVEIIARETLYRGFFSLDLYRFRHRLFNGGMSGEITREIFERGHAAVLLPFDPVRDEVVLVEQIRIAAYDTSESPWLLEMVAGMIEAGETVEDVARREALEEAGLEVGRTKPILSYLASPGGTSERLSILVGEVDASTAKGIHGLAEENEDIRVHVVSREQAYQWVEEGKIDNAASVIALQWLQLHYHNLRNEWTK

MAHHHHHHMSKPTQQGITFSKNDVEIIARETLYRGFFSLDLYRFRHRLFNGGMSGEITREIFERGHAAVLLPFDPVRDEVVLVEQIRIAAYDTSESPWLLEMVAGMIEAGETVEDVARREALEEAGLEVGRTKPILSYLASPGGTSERLSILVGEVDASTAKGIHGLAEENEDIRVHVVSREQAYQWVEEGKIDNAASVIALQWLQLHYHNLRNEWTK
Non polymer #2 AR6

InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15+/m1/s1

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N
Non polymer #3 MG

InChI=1S/Mg/q+2

[Mg+2]
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Reference