2025-09-06_00000074|ligand|9HBC

A. vinelandii nitrogenase MoFe protein Anc2; X-ray diffraction 1.82Å
Protein #1 491 residues (97% resolved)

MSTASWSHPQFEKMTREETQALIQEVLEVYPEKARKDRAKHLAVNDPSIEQSKKCITSNRKSLPGVMTVRGCAYAGSKGVVWGPIKDMIHISHGPVGCGQYSRAGRRNYYTGTTGVNTFGTMNFTSDFQEKDIVFGGDKKLAKIIDEIETLFPLNKGISVQSECPIGLIGDDIEAVAKKASKEIGKPVVPVRCEGFRGVSQSLGHHIANDAIRDWVLDKRDGQSFESTPYDVAIIGDYNIGGDAWSSRILLEEMGLRVVAQWSGDGTLAEMENTPKVKLNLLHCYRSMNYISRHMEEKYGIPWMEYNFFGPTKIAESLRKIAAHFDDTIQENAERVIAKYQPMMEAVIAKYRPRLEGKKVMLYVGGLRPRHVIGAYEDLGMEVVGTGYEFAHNDDYDRTIKELGDATLLYDDVTGYELEEFVKRLKPDLIGSGIKEKYIFQKMGIPFRQMHSWDYSGPYHGYDGFAIFARDMDMTLNNPCWNKLTPPWKKT

MSTASWSHPQFEKMTREETQALIQEVLEVYPEKARKDRAKHLAVNDPSIEQSKKCITSNRKSLPGVMTVRGCAYAGSKGVVWGPIKDMIHISHGPVGCGQYSRAGRRNYYTGTTGVNTFGTMNFTSDFQEKDIVFGGDKKLAKIIDEIETLFPLNKGISVQSECPIGLIGDDIEAVAKKASKEIGKPVVPVRCEGFRGVSQSLGHHIANDAIRDWVLDKRDGQSFESTPYDVAIIGDYNIGGDAWSSRILLEEMGLRVVAQWSGDGTLAEMENTPKVKLNLLHCYRSMNYISRHMEEKYGIPWMEYNFFGPTKIAESLRKIAAHFDDTIQENAERVIAKYQPMMEAVIAKYRPRLEGKKVMLYVGGLRPRHVIGAYEDLGMEVVGTGYEFAHNDDYDRTIKELGDATLLYDDVTGYELEEFVKRLKPDLIGSGIKEKYIFQKMGIPFRQMHSWDYSGPYHGYDGFAIFARDMDMTLNNPCWNKLTPPWKKT
Protein #2 523 residues (100% resolved)

MSQQVDKIKASYPLFLDQDYKDMLAKKRDGFEEKYPQDKIDEVFQWTTTKEYQELNFQREALTVNPAKACQPLGAVLCALGFEKTMPYVHGSQGCVAYFRSYFNRHFREPVSCVSDSMTEDAAVFGGQQNMKDGLQNCKATYKPDMIAVSTTCMAEVIGDDLNAFINNSKKEGFIPDEFPVPFAHTPSFVGSHVTGWDNMFEGIARYFTLKSMDDKVVGSNKKINIVPGFETYLGNFRVIKRMLSEMGVGYSLLSDPEEVLDTPADGQFRMYAGGTTQEEMKDAPNALNTVLLQPWHLEKTKKFVEGTWKHEVPKLNIPMGLDWTDEFLMKVSEISGQPIPASLTKERGRLVDMMTDSHTWLHGKRFALWGDPDFVMGLVKFLLELGCEPVHILCHNGNKRWKKAVDAILAASPYGKNATVYIGKDLWHLRSLVFTDKPDFMIGNSYGKFIQRDTLHKGKEFEVPLIRIGFPIFDRHHLHRSTTLGYEGAMQILTTLVNSILERLDEETRGMQATDYNHDLVR

MSQQVDKIKASYPLFLDQDYKDMLAKKRDGFEEKYPQDKIDEVFQWTTTKEYQELNFQREALTVNPAKACQPLGAVLCALGFEKTMPYVHGSQGCVAYFRSYFNRHFREPVSCVSDSMTEDAAVFGGQQNMKDGLQNCKATYKPDMIAVSTTCMAEVIGDDLNAFINNSKKEGFIPDEFPVPFAHTPSFVGSHVTGWDNMFEGIARYFTLKSMDDKVVGSNKKINIVPGFETYLGNFRVIKRMLSEMGVGYSLLSDPEEVLDTPADGQFRMYAGGTTQEEMKDAPNALNTVLLQPWHLEKTKKFVEGTWKHEVPKLNIPMGLDWTDEFLMKVSEISGQPIPASLTKERGRLVDMMTDSHTWLHGKRFALWGDPDFVMGLVKFLLELGCEPVHILCHNGNKRWKKAVDAILAASPYGKNATVYIGKDLWHLRSLVFTDKPDFMIGNSYGKFIQRDTLHKGKEFEVPLIRIGFPIFDRHHLHRSTTLGYEGAMQILTTLVNSILERLDEETRGMQATDYNHDLVR
Non polymer #3 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 #4 EDO

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

C(CO)O
Non polymer #5 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 #6 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
Non polymer #7 MG

InChI=1S/Mg/q+2

[Mg+2]
Non polymer #8 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