2025-02-01_00000216|ligand|9G01

Structure of carbon monoxide dehydrogenase/acetyl-CoA synthase (CODH/ACS) from Clostridium autoethanogenum (composite structure, closed and CO-bound state); Electron microscopy 2.83Å
Protein #1 708 residues (100% resolved)

MNLFQTVFTGSKQALAAAEGIVKQAVDEKGRDYKVAFPDTAYSLPVIFAATGKKITNVGELEGALDIVRSLIVEEEMLDKLLNSGLATAVAAEIIEAAKYVLSDAPYAEPCVGFISDPIIRSLGVPLVTGDIPGVAVILGECPDSETAAKIIKDYQSKGLLTCLVGKVIDQAIEGKVKMGLDLRVIPLGYDVTSVIHVVTIAIRAALIFGGIKGGQLNDILKYTAERVPAFVNAFGPLSELVVSAGAGAIALGFPVLTDQVVPEVPTLLLTQKDYDKMVKTSLEARNIKIKITEIPIPVSFAAAFEGERIRKNDMLAEFGGNKTKAWELVMCADQGEVEDHKIEVIGPDIDTIDKAPGRMPLGMLIKVSGTNMQKDFEPVLERRLHYFLNYIEGVMHVGQRNLTWVRIGKEAFEKGFRLKHFGEVIYAKMLDEFGSVVDKCEVTIITDPGKAEELEGKYAVPRYKERDARLESLVDEKVDTFYSCNLCQSFAPAHVCIVTPERLGLCGAVSWLDAKATLELNPTGPCQAVPKEGVVDENLGIWEKVNETVSKISQGAVTSVTLYSILQDPMTSCGCFECITGIMPEANGVVMVNREFGATTPLGMTFGELASMTGGGVQTPGFMGHGRQFIASKKFMKGEGGLGRIVWMPKELKDFVAEKLNKTAKELYNIDNFADMICDETIATESEEVVKFLEEKGHPALKMDPIM

MNLFQTVFTGSKQALAAAEGIVKQAVDEKGRDYKVAFPDTAYSLPVIFAATGKKITNVGELEGALDIVRSLIVEEEMLDKLLNSGLATAVAAEIIEAAKYVLSDAPYAEPCVGFISDPIIRSLGVPLVTGDIPGVAVILGECPDSETAAKIIKDYQSKGLLTCLVGKVIDQAIEGKVKMGLDLRVIPLGYDVTSVIHVVTIAIRAALIFGGIKGGQLNDILKYTAERVPAFVNAFGPLSELVVSAGAGAIALGFPVLTDQVVPEVPTLLLTQKDYDKMVKTSLEARNIKIKITEIPIPVSFAAAFEGERIRKNDMLAEFGGNKTKAWELVMCADQGEVEDHKIEVIGPDIDTIDKAPGRMPLGMLIKVSGTNMQKDFEPVLERRLHYFLNYIEGVMHVGQRNLTWVRIGKEAFEKGFRLKHFGEVIYAKMLDEFGSVVDKCEVTIITDPGKAEELEGKYAVPRYKERDARLESLVDEKVDTFYSCNLCQSFAPAHVCIVTPERLGLCGAVSWLDAKATLELNPTGPCQAVPKEGVVDENLGIWEKVNETVSKISQGAVTSVTLYSILQDPMTSCGCFECITGIMPEANGVVMVNREFGATTPLGMTFGELASMTGGGVQTPGFMGHGRQFIASKKFMKGEGGLGRIVWMPKELKDFVAEKLNKTAKELYNIDNFADMICDETIATESEEVVKFLEEKGHPALKMDPIM
Protein #2 630 residues (100% resolved)

EEKAKSIDQATLQLLDKAKQDGVETVWDRKADMKVQCGFGSAGVCCRNCSMGPCRVSPVPGKGVERGICGATADVIVSRNFARMVAAGTAAHSDHGRSIALSLYHTSKDGDIKVKDENKLKEVAKSFNVETEGRDIYDIAHDVAKEGLSNYGKQLGEVTLPPSLPEKRKELWRKLGVYPRAVDREIAAVMHSTHIGCNADAEAMIKMSMRCSLTDGWMGSFMGTEFSDIMFGTPHSIDTEANLGVLEKNSVNVVLHGHEPLLSEMVVEAASDPELVELAKSVGADGINLCGMCCTGNEVSMRHGIKIAGNFMQQELAVVTGAVDGLIVDVQCIMPALAKLSKSYHTKFITTSPKAHITDSIYMEFDEENPLDSAKKILKEAILNFKNRDQSKVMIPELKCKAILGYSVEEIINKLDKVVNTQIGPMQTVKPLADVLVSGVLRGAAAVVGCNNPKVVQDSAHIETIKGLIKNDVIVVVTGCAAQAAAKYGLLQKEAAEKYAGPGLATVCKLVDIPPVLHMGSCVDISRILDLVGRVANLLGVDMSDLPVAGVAPEWMSEKAVAIGTYVVTSGIDTWLGVAPPVTGGPEVVDILTNKMEDWVGAKFFIETDPHKAVEQIVNRMNEKRKKLGI

EEKAKSIDQATLQLLDKAKQDGVETVWDRKADMKVQCGFGSAGVCCRNCSMGPCRVSPVPGKGVERGICGATADVIVSRNFARMVAAGTAAHSDHGRSIALSLYHTSKDGDIKVKDENKLKEVAKSFNVETEGRDIYDIAHDVAKEGLSNYGKQLGEVTLPPSLPEKRKELWRKLGVYPRAVDREIAAVMHSTHIGCNADAEAMIKMSMRCSLTDGWMGSFMGTEFSDIMFGTPHSIDTEANLGVLEKNSVNVVLHGHEPLLSEMVVEAASDPELVELAKSVGADGINLCGMCCTGNEVSMRHGIKIAGNFMQQELAVVTGAVDGLIVDVQCIMPALAKLSKSYHTKFITTSPKAHITDSIYMEFDEENPLDSAKKILKEAILNFKNRDQSKVMIPELKCKAILGYSVEEIINKLDKVVNTQIGPMQTVKPLADVLVSGVLRGAAAVVGCNNPKVVQDSAHIETIKGLIKNDVIVVVTGCAAQAAAKYGLLQKEAAEKYAGPGLATVCKLVDIPPVLHMGSCVDISRILDLVGRVANLLGVDMSDLPVAGVAPEWMSEKAVAIGTYVVTSGIDTWLGVAPPVTGGPEVVDILTNKMEDWVGAKFFIETDPHKAVEQIVNRMNEKRKKLGI
Non polymer #3 CMO

InChI=1S/CO/c1-2

[C-]#[O+]
Non polymer #4 NI

InChI=1S/Ni/q+2

[Ni+2]
Non polymer #5 RQM

InChI=1S/4Fe.Ni.4S

[S]1([Fe]2[S]3[Fe]1[S]4[Fe]3[S]2[Ni]4)[Fe]
Non polymer #6 SF4

InChI=1S/4Fe.4S

[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
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Reference