2026-07-25_00000230|medium|9SPZ

Crystal structure of the Molybdenum-containing nitrogenase from Methanocaldococcus infernus refined to 1.37 A resolution - crystalline form A; X-ray diffraction 1.37Å
Protein #1 477 residues (99% resolved)

MPFVLLDCDKPIPERMKHTYIYDPEEEIIPACNIKTIPGDMTERGCSFAGARGVVGGPVKDVIHMVHGPIGCAFYTWGTRRNLSDFELHRRYCFSTDMQEADIVYGGEKKLEKACIEAAEEFPEAKGIFIYATCPTALIGDNLEAVARKVEEKIKKPVFACNSPGFAGCSQSKGHHIFNTEFYRWLRKAREKYPEKCLKEEEKTPYDIAIVGEYNMDWDLKVIKPLFEKIGCRVVAVFTGNASLDDLFKLPDVKLCVVHCQRSANYIAEMIRDGYNVPRVWVSLFGIEQTAEALRKTAEVLGIDKEKVEQVIKEEVEAIKPQLEFYKSKLEGKRCLVYVGGPRTWHWIRMFKELGVDVVVACCTFAHEDDYEKLNRNLKKAGLKGTLVIDAPNELELEEAIHKYKPDFMLTGLKERYLFRKYGVPTINSHSYEQGPYAGFRGFVNFARDIYKAVCHPIWDILKEGEKKFEEFKKKNN

MPFVLLDCDKPIPERMKHTYIYDPEEEIIPACNIKTIPGDMTERGCSFAGARGVVGGPVKDVIHMVHGPIGCAFYTWGTRRNLSDFELHRRYCFSTDMQEADIVYGGEKKLEKACIEAAEEFPEAKGIFIYATCPTALIGDNLEAVARKVEEKIKKPVFACNSPGFAGCSQSKGHHIFNTEFYRWLRKAREKYPEKCLKEEEKTPYDIAIVGEYNMDWDLKVIKPLFEKIGCRVVAVFTGNASLDDLFKLPDVKLCVVHCQRSANYIAEMIRDGYNVPRVWVSLFGIEQTAEALRKTAEVLGIDKEKVEQVIKEEVEAIKPQLEFYKSKLEGKRCLVYVGGPRTWHWIRMFKELGVDVVVACCTFAHEDDYEKLNRNLKKAGLKGTLVIDAPNELELEEAIHKYKPDFMLTGLKERYLFRKYGVPTINSHSYEQGPYAGFRGFVNFARDIYKAVCHPIWDILKEGEKKFEEFKKKNN
Protein #2 462 residues (100% resolved)

MGITYVEKQRAVTINPNKICQPIGAMWATLGVHRAIPFVQGSQGCCTYVRYTFNRHFREPVSIAVASFHEDAAVYGGMKNLVEGIRNLVARYDPDLISVVTTCSSETIGDDIEAFIRAARKKIAKEFGEEKAKLPIIPVHCPSYQASHVKGYDNASKAFLEYLAKKDEEKEPHKINIIPGFGVNPGDILEIKRILDMFGLKEGEDYSILFDISETLYQPLREPIKEIPYYPKGGTKVEEFVDAANAKATFALCKHAGGAGALYLQRKYKVPAYYGLPIGIKNTDDFIINIAKVTGLDIPDKLLDERGKLIDAIVDTVHYTMDKKVGIFGDPDFVIAVSRFCCEIGMKPVVVNTQTPSNTYKKAMEEIANEYNVDIEVQFSDLWDFEKSVKKIGVDLLIGHPRGGVKIAEDLGIGLVRMGFPIYDRVGYFRWPIVGYMGSLRFFDEIVNTILDTQVPWDQKQQ

MGITYVEKQRAVTINPNKICQPIGAMWATLGVHRAIPFVQGSQGCCTYVRYTFNRHFREPVSIAVASFHEDAAVYGGMKNLVEGIRNLVARYDPDLISVVTTCSSETIGDDIEAFIRAARKKIAKEFGEEKAKLPIIPVHCPSYQASHVKGYDNASKAFLEYLAKKDEEKEPHKINIIPGFGVNPGDILEIKRILDMFGLKEGEDYSILFDISETLYQPLREPIKEIPYYPKGGTKVEEFVDAANAKATFALCKHAGGAGALYLQRKYKVPAYYGLPIGIKNTDDFIINIAKVTGLDIPDKLLDERGKLIDAIVDTVHYTMDKKVGIFGDPDFVIAVSRFCCEIGMKPVVVNTQTPSNTYKKAMEEIANEYNVDIEVQFSDLWDFEKSVKKIGVDLLIGHPRGGVKIAEDLGIGLVRMGFPIYDRVGYFRWPIVGYMGSLRFFDEIVNTILDTQVPWDQKQQ
Non polymer #3 1CL

InChI=1S/8Fe.7S

[S]12[Fe][S]3[Fe]1[S]([Fe]2)[Fe]3S45[Fe]6[S]7[Fe]4[S]8[Fe]7[S]6[Fe]58
Non polymer #4 CL

InChI=1S/ClH/h1H/p-1

[Cl-]
Non polymer #5 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 #6 EDO

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

C(CO)O
Non polymer #7 F4S

InChI=1S/4Fe.3S

[S]12[Fe][S]3[Fe]1[S]([Fe]2)[Fe]3
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
Non polymer #10 MG

InChI=1S/Mg/q+2

[Mg+2]
Non polymer #11 MPD

InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m0/s1

C[C@@H](CC(C)(C)O)O
Non polymer #12 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