2026-10-31_00000686|ligand|39RG

Crystal structure of a formate acetyltransferase (PFL) from Amygdalobacter indicium (CoA complex); X-ray diffraction 2.20Å
Protein #1 688 residues (89% resolved)

MAHHHHHHMGTLEAQTQGPGSMMEAYRSFKKGHWMDTINVRDFIQRNYTPYEGDDSFLEGPTEATKKLWDQVMELNKQEAAKGGVLDADTKVVSTITSHGPGYLNKDLEKIVGFQTDAPFKRSLQPFGGIRMAESALEAYGYKIDPEVVEIFTKYRKTHNQGVFDAYTPAMKAARHCGIITGLPDAYGRGRIIGDYRRVALYGIDRLIEDKKQQLEILESPTMTADIIRDREEISEQIRALGEMAEMAQSYGFDIRRPAETAQEAIQWLYFGYLSAVKEQNGAAMSLGRTSTFLDIYIQRDLDEGTLTEKEAQELMDHFVMKLRLVKFMRTPEYNALFSGDPTWVTESIGGMGVDGRTLVTKNSFRVLHTLSNLGPAPEPNMTVLWSPRLPIGFRRFCAKTSIKTSSIQYESDELMRPEMFDDYAIACCVSSMIVGKEMQFFGARANLAKCLLYAINGGMDEKKKIQVAPRFAPITSEYLDYDEVMEKYTQMMEWLAGLYVNTLNVIHYMHDKYCYERSEMALHDREVKRYFATGIAGLSVVADSLSAIKYAKVKVIRDEDGVAVDYQTEGDFPKYGNNDDRVDLIAAHLVTTFMNMIRKHHTYRNSIPTMSILTITSNVVYGKKTGTTPDGRKAGQPFAPGANPMHGRDSNGALASLESVAKLPYDDSRDGISNTFSLVPNSLGKEE

MAHHHHHHMGTLEAQTQGPGSMMEAYRSFKKGHWMDTINVRDFIQRNYTPYEGDDSFLEGPTEATKKLWDQVMELNKQEAAKGGVLDADTKVVSTITSHGPGYLNKDLEKIVGFQTDAPFKRSLQPFGGIRMAESALEAYGYKIDPEVVEIFTKYRKTHNQGVFDAYTPAMKAARHCGIITGLPDAYGRGRIIGDYRRVALYGIDRLIEDKKQQLEILESPTMTADIIRDREEISEQIRALGEMAEMAQSYGFDIRRPAETAQEAIQWLYFGYLSAVKEQNGAAMSLGRTSTFLDIYIQRDLDEGTLTEKEAQELMDHFVMKLRLVKFMRTPEYNALFSGDPTWVTESIGGMGVDGRTLVTKNSFRVLHTLSNLGPAPEPNMTVLWSPRLPIGFRRFCAKTSIKTSSIQYESDELMRPEMFDDYAIACCVSSMIVGKEMQFFGARANLAKCLLYAINGGMDEKKKIQVAPRFAPITSEYLDYDEVMEKYTQMMEWLAGLYVNTLNVIHYMHDKYCYERSEMALHDREVKRYFATGIAGLSVVADSLSAIKYAKVKVIRDEDGVAVDYQTEGDFPKYGNNDDRVDLIAAHLVTTFMNMIRKHHTYRNSIPTMSILTITSNVVYGKKTGTTPDGRKAGQPFAPGANPMHGRDSNGALASLESVAKLPYDDSRDGISNTFSLVPNSLGKEE
Non polymer #2 1PE

InChI=1S/C10H22O6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h11-12H,1-10H2

C(COCCOCCOCCOCCO)O
Non polymer #3 CL

InChI=1S/ClH/h1H/p-1

[Cl-]
Non polymer #4 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
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Reference