2026-06-27_00000109|hard|9P1X

Cryo-EM structure of Nitrogenase MoFe protein from Methanosarcina acetivorans bound to the NifI inhibitor complex; Electron microscopy 3.16Å
Protein #1 559 residues (94% resolved)

MWSHPQFEKGGGSGGGSGGGSWSHPQFEKSGMGAEIEDKQLIVDNILKVLPEKAARDRRKHIVVRDCAAEQHIEADDKVIPGILTNRGCAFAGTKGVVFGPIKDMVHLVHGPIGCAYFTWGTRRNLAKAEEGEDNYMNYSVCTDMKETDIVFGGEKKLKKAIDEVVKIFNPGAITICATCPVGLIGDDIESVAREAEEEHGIKVIPARCEGYRGVSQSAGHHIASNSLMEHLIGTEDIKDPTPFDINIFGEYNIGGDLWEIKPILEKIGYRIISSLTGDGSFHKISQAHQAKLSILLCHRSINYTNRMMEEKYGVPWLKVNYIGTKGTEKSLRKMAEFFDDPELTRKTEEVIAEEKAKYADEIERYREKLQGKTAFIYAGGSRSHHYINLFEELGMKVVVAGYQFAHRDDYEGRQIIPHIKEKALGSILEDVHYEREENFKPSINAERITELKEKIGLMDYEGLFPEMKDGTIVVDDLNHHETEFLVKALKPDIFCSGIKDKYWAQKIGVPSRQIHSYDYSGRYTGFSGVLNFARDIDMAIHSPTWRFINPPWKGEGAE

MWSHPQFEKGGGSGGGSGGGSWSHPQFEKSGMGAEIEDKQLIVDNILKVLPEKAARDRRKHIVVRDCAAEQHIEADDKVIPGILTNRGCAFAGTKGVVFGPIKDMVHLVHGPIGCAYFTWGTRRNLAKAEEGEDNYMNYSVCTDMKETDIVFGGEKKLKKAIDEVVKIFNPGAITICATCPVGLIGDDIESVAREAEEEHGIKVIPARCEGYRGVSQSAGHHIASNSLMEHLIGTEDIKDPTPFDINIFGEYNIGGDLWEIKPILEKIGYRIISSLTGDGSFHKISQAHQAKLSILLCHRSINYTNRMMEEKYGVPWLKVNYIGTKGTEKSLRKMAEFFDDPELTRKTEEVIAEEKAKYADEIERYREKLQGKTAFIYAGGSRSHHYINLFEELGMKVVVAGYQFAHRDDYEGRQIIPHIKEKALGSILEDVHYEREENFKPSINAERITELKEKIGLMDYEGLFPEMKDGTIVVDDLNHHETEFLVKALKPDIFCSGIKDKYWAQKIGVPSRQIHSYDYSGRYTGFSGVLNFARDIDMAIHSPTWRFINPPWKGEGAE
Protein #2 456 residues (100% resolved)

MLDYTPCEEVERSAITINPAKICQPIGAVYAALGVHNCMPHSHGSQGCLSYLRMCLSRHYREAALATTSSFSEGTAVFGGAANLKEALVNLTTVYQPEVIAIHTTCVAETIGDDVGVILEDVSAEELIDPSIKICAASTPSYVGTHITGYDNMVKSFVTTFASKSKPNGKLNIIPGFVEPADIREIKRILSIMGISSIVFPDTTDVFDAPLTKEHTFYPKGGTPIGDIEDSANSLGTIALCRMAGGAAAKILESRYKVPAKIGPTPIGIRNTDRFIMNAAKLANVAIPPELEDERGRLVDMMTDAHPHYHGKKVAIYGDPDILSGLTSLVLEMGMEPSVVLTGTQNSEFEKEIEALIGSEYPDADIISGGDLFMLHQIIKRKPVDLLIGNTYGKFISRAEDVPLVRVGFPIMDRANLHYFPIMGYAGAARLVERIGNTLLDRKDRDAPDWLLETIQ

MLDYTPCEEVERSAITINPAKICQPIGAVYAALGVHNCMPHSHGSQGCLSYLRMCLSRHYREAALATTSSFSEGTAVFGGAANLKEALVNLTTVYQPEVIAIHTTCVAETIGDDVGVILEDVSAEELIDPSIKICAASTPSYVGTHITGYDNMVKSFVTTFASKSKPNGKLNIIPGFVEPADIREIKRILSIMGISSIVFPDTTDVFDAPLTKEHTFYPKGGTPIGDIEDSANSLGTIALCRMAGGAAAKILESRYKVPAKIGPTPIGIRNTDRFIMNAAKLANVAIPPELEDERGRLVDMMTDAHPHYHGKKVAIYGDPDILSGLTSLVLEMGMEPSVVLTGTQNSEFEKEIEALIGSEYPDADIISGGDLFMLHQIIKRKPVDLLIGNTYGKFISRAEDVPLVRVGFPIMDRANLHYFPIMGYAGAARLVERIGNTLLDRKDRDAPDWLLETIQ
Protein #3 105 residues (98% resolved)

MQMIRAVIRPGMESKVVECLEKEGCISLTKMEVFGRGKQKGIHIADIHYDELQKTMLLMVVEDEHKDKVIKTIMEAARTGKYGDGRIFVNPVEEAYTIRTGKAGL

MQMIRAVIRPGMESKVVECLEKEGCISLTKMEVFGRGKQKGIHIADIHYDELQKTMLLMVVEDEHKDKVIKTIMEAARTGKYGDGRIFVNPVEEAYTIRTGKAGL
Protein #4 125 residues (96% resolved)

MKEITAIIRMNKVQKTKNALLGCGFPSFTVRRVMGRGKQRGLCFEFNPPLPDPEKEAETCIRFIPKRMFTVVVDDENVSEVVQKIIEVNQTGNAGDGKIFVSNITEAIRIRTGESGEATISKELM

MKEITAIIRMNKVQKTKNALLGCGFPSFTVRRVMGRGKQRGLCFEFNPPLPDPEKEAETCIRFIPKRMFTVVVDDENVSEVVQKIIEVNQTGNAGDGKIFVSNITEAIRIRTGESGEATISKELM
Non polymer #5 ADP

InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
Non polymer #6 AKG

InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)

C(CC(=O)O)C(=O)C(=O)O
Non polymer #7 CLF

InChI=1S/8Fe.7S

[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71
Non polymer #8 HCA

InChI=1S/C7H10O7/c8-4(9)1-2-7(14,6(12)13)3-5(10)11/h14H,1-3H2,(H,8,9)(H,10,11)(H,12,13)/t7-/m1/s1

C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O
Non polymer #9 ICS

InChI=1S/C.7Fe.Mo.9S

C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12
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Reference