2025-08-30_00000255|medium|9MGT

Structure of N-3 aminoglycoside acetyltransferase XIa (AAC(3)-XIa) in complex with coenzyme A and tobramycin; X-ray diffraction 1.96Å
Protein #1 148 residues (97% resolved)

MTTTNEIRVAEVADAGVVAKLLRDFNTEFDTPVPEGLEERFAQIIAHDDAFVLLAGDIGFAYVTLRPSPYYDGPVAMLDELYVAPAHRNRGVGTALLQRVFEEIRKHSAGELQINVDEVDTDARRFYERHGLTNIEQGSRMLLYIREL

MTTTNEIRVAEVADAGVVAKLLRDFNTEFDTPVPEGLEERFAQIIAHDDAFVLLAGDIGFAYVTLRPSPYYDGPVAMLDELYVAPAHRNRGVGTALLQRVFEEIRKHSAGELQINVDEVDTDARRFYERHGLTNIEQGSRMLLYIREL
Non polymer #2 COA

InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1

CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O
Non polymer #3 TOY

InChI=1S/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2/t5-,6+,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1

C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H](C[C@@H]([C@H](O3)CN)O)N)N
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