2026-06-06_00000329|ligand|9ZLK

Cryo-EM structure of MgtA with bound AMPPCP and magnesium; Electron microscopy 2.79Å

Protein #1 921 residues (97% resolved)

Raw Sequence ...

MHHHHHHHHLEMKKLRKTLENTKRATNFVDNNEIKRRLEFARVSSKEELFQKFKTSDKGLSEEQVEISREQYGDNSITRGKKTSLIKRLYQAFINPFTIILFVLALVSAFTDIILAAPGEKNPQGLIIITTMVLISGILRFVQETRSGNAAENLLKMITTTTNVHRLETGSQEIPIEEVLVGDIIHLSAGDMVPADLRIIQAKDLFISQASLTGESEPVEKLDLATSEAYDSITESSNLAFMGSNIISGSAYGIVIVTGDTTIFGEMARSVTEDSTKTTFEKGVNSFSWVLIRFMLVMVPFVLLINGFTKGDWMEAALFALAVAVGLTPAMLPMIVTTCLAKGAVTMSKEKTIIKNLNSIQNLGSMNILCTDKTGTLTQDKVVLMRHLDIHGQENIRVLRHGFLNSYYQTGLKNLMDLAIIEGAEAKQEKNPELSGLSSKYTKVDEIPFDFERRRMSVVVQSNGNGTDSKTQMITKGAAEEMLDICTLVEDEGKIVPLNSELRQYILKKVDKLNELGMRVILVAQKTNPSPIDSFSVQDESEMVLMGYLAFLDPPKESTAKAIKALNKYGVSVKILTGDNDKVTRSVCEQVGLPADKTILGSDIDQLDDEELAQVAKEASVFAKLSPQQKARIVTTLRNSGNSVGYMGDGINDAAAMKASDVGISVDSAVDIAKESADVILLEKDLMVLEKGIIEGRKTYANMIKYIKMTASSNFGNMFSVLIASAFLPFIPMLSIHILLLNLIYDFSCTAIPWDNVDEEYLVVPRKWDASSVSKFMLWIGPTSSVFDITTYLLMFFVICPATFGPFSTLVPGSAAYIGFIALFHTGWFVESMWTQTLVIHMIRTPKIPFLQSRASAPLTLLTFLGIIGLTIIPFTSFGKSIGLMALPLTFFPWLILTVVMYMFLVTLFKKIFVSKYGELL

Canonical Sequence ...

Non polymer #2 ACP

InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-31(24,25)28-30(22,23)4-29(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1

InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-31(24,25)28-30(22,23)4-29(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1

SMILES: c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N

Non polymer #3 K

InChI=1S/K/q+1

SMILES: [K+]

[K+]

Non polymer #4 MG

InChI=1S/Mg/q+2

SMILES: [Mg+2]

[Mg+2]

Biounit #1 monomer

Reference