Crystal structure of LkcE R326Q mutant in complex with its substrate

[(2~{S},5~{R},8~{S},11~{S})-1-[(2~{R},3~{R},5~{R},6~{S})-3,5-dimethyl-6-oxidanyl-4-oxidanylidene-oxan-2-yl]-5,11-dimeth yl-8-oxidanyl-13-[[(2~{S})-2-oxidanylpropanoyl]amino]tridecan-2-yl] ethanoate

Insights into a dual function amide oxidase/macrocyclase from lankacidin biosynthesis.

GPGSMTVVEAKSRIAVVGGGGSGSVAAWLLARRHDVTLFEADEYLGGHAYSHPVETDQGTLHVDMGVEHFNEKLSPNLFR
LLTDFGIGTYVAPSSVHVDFPGEQQSWNNLDFLGELREELHEEFDRFHQEMNQLPTSGDDSYKQMSIGEYLDKHGYSKSF
KYKAMNPILSIYSGCHAPSLDYNLMYVALSFSMNLLSFFSAGYWRKAQGGIHSYLARIESDLGERVRLNTPVEAVVPTQS
GVTVLAGGQEHHFDQVVFATHADVTLRLLRTSDQQYRDLLGDFAYVPVESVLHQDESWLSPAGGGAYCQFRMPEGFELAR
AEEQMGSLTQNCNVLHPYRKVSSPILITFDPQEDVDPERVIVRREWKLPQLRPVDVRRKKRLHEIQGLNGLWFCGTDTSV
TGHEGAIVSGMVIADRLGVPHPFPDDAPAAAQFRGIKEFMGV

16% PEG 8000, 160 mM calcium acetate, 100 mM Bis Tris pH 6.5

structure of LkcE wild type with substrate analogues

HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : REFINED INDIVIDUALLY

Amine oxydase, cyclase, Post-PKS enzyme, tayloring enzyme, FLAVOPROTEIN

MTVVEAKSRIAVVGGGGSGSVAAWLLARRHDVTLFEADEYLGGHAYSHPVETDRGTLHVDMGVEHFNEKLSPNLFRLLTD
FGIGTYVAPSSVHVDFPGEQQSWNNLDFLGELREELHEEFDRFHQEMNQLPTSGDDSYKQMSIGEYLDKHGYSKSFKYKA
MNPILSIYSGCHAPSLDYNLMYVALSFSMNLLSFFSAGYWRKAQGGIHSYLARIESDLGERVRLNTPVEAVVPTQSGVTV
LAGGQEHHFDQVVFATHADVTLRLLRTSDQQYRDLLGDFAYVPVESVLHQDESWLSPAGGGAYCQFRMPEGFELARAEEQ
MGSLTRNCNVLHPYRKVSSPILITFDPQEDVDPERVIVRREWKLPQLRPVDVRRKKRLHEIQGLNGLWFCGTDTSVTGHE
GAIVSGMVIADRLGVPHPFPDDALAAAQFRGIKEFMGV