Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C20CoA

Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.

SMSHYKSNVRDQVFNLFEVFGVDKVLGADKFSDLDADTAREMLTEIARLAEGPIAESFVEGDRNPPVFDPETHTVTLPEG
FKKSMRALFDGGWDKVGLAEHLGGIPMPRALQWALIEHILGANPAAYMYAMGPGMSEIFYNNGTDEQKKWATIAAERGWG
ATMVLTEPDAGSDVGAGRTKAVQQPDGTWHIEGVKRFITSADSDDLFENIMHLVLARPEGAGPGTKGLSLFFVPKFHFDH
ETGEIGERNGVFVTNVEHKMGLKVSATCELSLGQHGIPAVGWLVGEVHNGIAQMFDVIEQARMMVGTKAIATLSTGYLNA
LEYAKERVQGADMTQMTDKTAPRVTITHHPDVRRSLMTQKAYAEGLRAIYLYTATFQDAEVAQAVHGVDGDLAARVNDLL
LPIVKGFGSETAYAKLTESLQTLGGSGFLQDYPIEQYIRDSKIDSLYAGTTAIQAQDFFFRKIIRDKGQALAYVAGEIEQ
FIKNENGNGRLKTERELLATALADVQGMAASLTGYLMAAQEDAASIYKVGLGSVRFLMAVGDLLSGWLLARQAAVAIEKL
DAGATGADKSFYEGKIAAASFFAKNMLPLLTSTRQIIENLDNDVMELDEAAF

0.1 M Hepes sodium (pH 7.0), 2% v/v PEG 400, 2 M (NH4)2SO4, 1 mM FAD and 1.2 mM C18CoA

MSHYKSNVRDQVFNLFEVFGVDKVLGADKFSDLDADTAREMLTEIARLAEGPIAESFVEGDRNPPVFDPETHTVTLPEGF
KKSMRALFDGGWDKVGLAEHLGGIPMPRALQWALIEHILGANPAAYMYAMGPGMSEIFYNNGTDEQKKWATIAAERGWGA
TMVLTEPDAGSDVGAGRTKAVQQPDGTWHIEGVKRFITSADSDDLFENIMHLVLARPEGAGPGTKGLSLFFVPKFHFDHE
TGEIGERNGVFVTNVEHKMGLKVSATCELSLGQHGIPAVGWLVGEVHNGIAQMFDVIEQARMMVGTKAIATLSTGYLNAL
EYAKERVQGADMTQMTDKTAPRVTITHHPDVRRSLMTQKAYAEGLRAIYLYTATFQDAEVAQAVHGVDGDLAARVNDLLL
PIVKGFGSETAYAKLTESLQTLGGSGFLQDYPIEQYIRDSKIDSLYEGTTAIQAQDFFFRKIIRDKGQALAYVAGEIEQF
IKNENGNGRLKTERELLATALADVQGMAASLTGYLMAAQEDAASIYKVGLGSVRFLMAVGDLLSGWLLARQAAVAIEKLD
AGATGADKSFYEGKIAAASFFAKNMLPLLTSTRQIIENLDNDVMELDEAAF

binding site for residues DCR A 702 and COA A 703

binding site for residues DCR B 702 and COA B 703