2026-09-19_00000111|ligand|31RQ

Mycobacterium abscessus Phophopantheteinyl transferase PptAb in complex with 2-((3,4-dihydro-2H-pyrrol-5-yl)amino)phenol (compound 2a); X-ray diffraction 1.08Å
Protein #1 232 residues (94% resolved)

MPVTDQLIASVVPELLPSAELYEDPPGLEPLPEEEPLIAKSVAKRRNEFITVRYCARQALSVLGIPEVPILKGDKGQPLWPDGIVGSMTHTEGFRGAVVGRTGEVRSVGIDAEPHDVLPNGVLKSIALPVERDELDALPAGTHWDRLLFCAKETTYKAWFPLTARWLGFEDAHITIDPDGTFTSRILVDGRANDGTVLSAFDGRWIIDKGLILTAIVVPKLAAALEHHHHHH

MPVTDQLIASVVPELLPSAELYEDPPGLEPLPEEEPLIAKSVAKRRNEFITVRYCARQALSVLGIPEVPILKGDKGQPLWPDGIVGSMTHTEGFRGAVVGRTGEVRSVGIDAEPHDVLPNGVLKSIALPVERDELDALPAGTHWDRLLFCAKETTYKAWFPLTARWLGFEDAHITIDPDGTFTSRILVDGRANDGTVLSAFDGRWIIDKGLILTAIVVPKLAAALEHHHHHH
Non polymer #2 A1KBD

InChI=1S/C10H12N2O/c13-9-5-2-1-4-8(9)12-10-6-3-7-11-10/h1-2,4-5,13H,3,6-7H2,(H,11,12)

c1ccc(c(c1)NC2=NCCC2)O
Non polymer #3 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 #4 MN

InChI=1S/Mn/q+2

[Mn+2]
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Reference