2025-02-08_00000025|ligand|8PU5

Crystal structure of the Acyl-CoA dehydrogenase FadE1(PA0506) E441A from Pseudomonas aeruginosa complexed with C16CoA; X-ray diffraction 1.44Å
Protein #1 603 residues (99% resolved)

GHMPDYKAPLRDIRFVRDELLGYEAHYQSLPGAEDATPDMVNAILEEGAKFCEQVIAPLNRVGDLEGCTWSADGVKTPTGFKEAYQQFVEGGWPSLAHDVEHGGQGLPESLGLAISEMVGQANWSWGMYPGLSHGAMNTLHAHGTAEQQATYLTKLVSGEWTGTMCLTEPHCGTDLGMLRTKAEPQADGSYKVTGTKIFISAGEHDMADNIVHIVLARLPDAPQGTKGISLFIVPKFLPNAEGNAGERNAVSCGSIEHKMGIHGNATCVMNFDAATGFLIGPPNKGLNCMFTFMNTARLGTALQGLAHAEVGFQGGIAYARERLQMRSLTGPKAPEKPADPIIVHPDVRRMLLTMKAFAEGNRAMLYFAAKQVDIVQRSQDEEQKKAADSMLAFLTPIAKAFMTEVGFESANHGVQIFGGHGFIAEHGMEQNVRDSRISMLYAGTTGVQALDLLGRKVLMTQGEALKGFTKIVHKFCQANEANEAVKEFVAPLAQLNKEWGDLTMKVGMAAMKDREEVGAASVDYLMYSGYACLAYFWADMARLAAEKLAAGTGEEAFYKAKLQTARFYFQRILPRTRAHVAAMLSGANNLMEMAEEDFALGY

GHMPDYKAPLRDIRFVRDELLGYEAHYQSLPGAEDATPDMVNAILEEGAKFCEQVIAPLNRVGDLEGCTWSADGVKTPTGFKEAYQQFVEGGWPSLAHDVEHGGQGLPESLGLAISEMVGQANWSWGMYPGLSHGAMNTLHAHGTAEQQATYLTKLVSGEWTGTMCLTEPHCGTDLGMLRTKAEPQADGSYKVTGTKIFISAGEHDMADNIVHIVLARLPDAPQGTKGISLFIVPKFLPNAEGNAGERNAVSCGSIEHKMGIHGNATCVMNFDAATGFLIGPPNKGLNCMFTFMNTARLGTALQGLAHAEVGFQGGIAYARERLQMRSLTGPKAPEKPADPIIVHPDVRRMLLTMKAFAEGNRAMLYFAAKQVDIVQRSQDEEQKKAADSMLAFLTPIAKAFMTEVGFESANHGVQIFGGHGFIAEHGMEQNVRDSRISMLYAGTTGVQALDLLGRKVLMTQGEALKGFTKIVHKFCQANEANEAVKEFVAPLAQLNKEWGDLTMKVGMAAMKDREEVGAASVDYLMYSGYACLAYFWADMARLAAEKLAAGTGEEAFYKAKLQTARFYFQRILPRTRAHVAAMLSGANNLMEMAEEDFALGY
Non polymer #2 EDO

InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2

C(CO)O
Non polymer #3 NO3

InChI=1S/NO3/c2-1(3)4/q-1

[N+](=O)([O-])[O-]
Non polymer #4 PGE

InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2

C(COCCOCCO)O
Non polymer #5 PKZ

InChI=1S/C37H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h24-26,30-32,36,47-48H,4-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/t26-,30-,31-,32+,36-/m1/s1

CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O
Non polymer #6 TRS

InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2/p+1

C(C(CO)(CO)[NH3+])O
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Reference