2026-07-18_00000108|ligand|9N2P

Structure of MoaC-covalent intermediate complex obtained in the presence of Mg.; X-ray diffraction 2.26Å
Protein #1 160 residues (91% resolved)

SQLTHINAAGEAHMVDVSAKAETVREARAEAFVTMRSETLAMIIDGRHHKGDVFATARIAGIQAAKRTWDLIPLCHPLMLSKVEVNLQAEPEHNRVRIETLCRLTGKTGVEMEALTAASVAALTIYDMCKAVQKDMVIGPVRLLAKSGGKSGDFKVEADD

SQLTHINAAGEAHMVDVSAKAETVREARAEAFVTMRSETLAMIIDGRHHKGDVFATARIAGIQAAKRTWDLIPLCHPLMLSKVEVNLQAEPEHNRVRIETLCRLTGKTGVEMEALTAASVAALTIYDMCKAVQKDMVIGPVRLLAKSGGKSGDFKVEADD
Non polymer #2 A1C8Z

InChI=1S/C11H20N5O12P3/c12-11-15-9-8(10(19)16-11)14-5(2-13-9)1-6(17)7(18)3-27-29(20,21)4-30(22,23)28-31(24,25)26/h2,6-7,14,17-18H,1,3-4H2,(H,20,21)(H,22,23)(H2,24,25,26)(H4,12,13,15,16,19)/t6-,7-/m1/s1

C1=C(NC2=C(N1)N=C(NC2=O)N)C[C@H]([C@@H](COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)O
Non polymer #3 MG

InChI=1S/Mg/q+2

[Mg+2]
Non polymer #4 PO4

InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3

[O-]P(=O)([O-])[O-]
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Reference