2025-09-06_00000074
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ligand
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9HBC
A. vinelandii nitrogenase MoFe protein Anc2;
X-ray diffraction 1.82Å
Protein #1
491 residues (97% resolved)
Raw Sequence ...
MSTASWSHPQFEKMTREETQALIQEVLEVYPEKARKDRAKHLAVNDPSIEQSKKCITSNRKSLPGVMTVRGCAYAGSKGVVWGPIKDMIHISHGPVGCGQYSRAGRRNYYTGTTGVNTFGTMNFTSDFQEKDIVFGGDKKLAKIIDEIETLFPLNKGISVQSECPIGLIGDDIEAVAKKASKEIGKPVVPVRCEGFRGVSQSLGHHIANDAIRDWVLDKRDGQSFESTPYDVAIIGDYNIGGDAWSSRILLEEMGLRVVAQWSGDGTLAEMENTPKVKLNLLHCYRSMNYISRHMEEKYGIPWMEYNFFGPTKIAESLRKIAAHFDDTIQENAERVIAKYQPMMEAVIAKYRPRLEGKKVMLYVGGLRPRHVIGAYEDLGMEVVGTGYEFAHNDDYDRTIKELGDATLLYDDVTGYELEEFVKRLKPDLIGSGIKEKYIFQKMGIPFRQMHSWDYSGPYHGYDGFAIFARDMDMTLNNPCWNKLTPPWKKT
Canonical Sequence ...
MSTASWSHPQFEKMTREETQALIQEVLEVYPEKARKDRAKHLAVNDPSIEQSKKCITSNRKSLPGVMTVRGCAYAGSKGVVWGPIKDMIHISHGPVGCGQYSRAGRRNYYTGTTGVNTFGTMNFTSDFQEKDIVFGGDKKLAKIIDEIETLFPLNKGISVQSECPIGLIGDDIEAVAKKASKEIGKPVVPVRCEGFRGVSQSLGHHIANDAIRDWVLDKRDGQSFESTPYDVAIIGDYNIGGDAWSSRILLEEMGLRVVAQWSGDGTLAEMENTPKVKLNLLHCYRSMNYISRHMEEKYGIPWMEYNFFGPTKIAESLRKIAAHFDDTIQENAERVIAKYQPMMEAVIAKYRPRLEGKKVMLYVGGLRPRHVIGAYEDLGMEVVGTGYEFAHNDDYDRTIKELGDATLLYDDVTGYELEEFVKRLKPDLIGSGIKEKYIFQKMGIPFRQMHSWDYSGPYHGYDGFAIFARDMDMTLNNPCWNKLTPPWKKT
Protein #2
523 residues (100% resolved)
Raw Sequence ...
MSQQVDKIKASYPLFLDQDYKDMLAKKRDGFEEKYPQDKIDEVFQWTTTKEYQELNFQREALTVNPAKACQPLGAVLCALGFEKTMPYVHGSQGCVAYFRSYFNRHFREPVSCVSDSMTEDAAVFGGQQNMKDGLQNCKATYKPDMIAVSTTCMAEVIGDDLNAFINNSKKEGFIPDEFPVPFAHTPSFVGSHVTGWDNMFEGIARYFTLKSMDDKVVGSNKKINIVPGFETYLGNFRVIKRMLSEMGVGYSLLSDPEEVLDTPADGQFRMYAGGTTQEEMKDAPNALNTVLLQPWHLEKTKKFVEGTWKHEVPKLNIPMGLDWTDEFLMKVSEISGQPIPASLTKERGRLVDMMTDSHTWLHGKRFALWGDPDFVMGLVKFLLELGCEPVHILCHNGNKRWKKAVDAILAASPYGKNATVYIGKDLWHLRSLVFTDKPDFMIGNSYGKFIQRDTLHKGKEFEVPLIRIGFPIFDRHHLHRSTTLGYEGAMQILTTLVNSILERLDEETRGMQATDYNHDLVR
Canonical Sequence ...
MSQQVDKIKASYPLFLDQDYKDMLAKKRDGFEEKYPQDKIDEVFQWTTTKEYQELNFQREALTVNPAKACQPLGAVLCALGFEKTMPYVHGSQGCVAYFRSYFNRHFREPVSCVSDSMTEDAAVFGGQQNMKDGLQNCKATYKPDMIAVSTTCMAEVIGDDLNAFINNSKKEGFIPDEFPVPFAHTPSFVGSHVTGWDNMFEGIARYFTLKSMDDKVVGSNKKINIVPGFETYLGNFRVIKRMLSEMGVGYSLLSDPEEVLDTPADGQFRMYAGGTTQEEMKDAPNALNTVLLQPWHLEKTKKFVEGTWKHEVPKLNIPMGLDWTDEFLMKVSEISGQPIPASLTKERGRLVDMMTDSHTWLHGKRFALWGDPDFVMGLVKFLLELGCEPVHILCHNGNKRWKKAVDAILAASPYGKNATVYIGKDLWHLRSLVFTDKPDFMIGNSYGKFIQRDTLHKGKEFEVPLIRIGFPIFDRHHLHRSTTLGYEGAMQILTTLVNSILERLDEETRGMQATDYNHDLVR
Non polymer #3
CLF
InChI=1S/8Fe.7S
InChI=1S/8Fe.7S
SMILES: [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
[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
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
SMILES: C(CO)O
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
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
SMILES: C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O
C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O
Non polymer #6
ICS
InChI=1S/C.7Fe.Mo.9S
InChI=1S/C.7Fe.Mo.9S
SMILES: 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
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
InChI=1S/Mg/q+2
SMILES: [Mg+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
InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2/p+1
SMILES: C(C(CO)(CO)[NH3+])O
C(C(CO)(CO)[NH3+])O
Biounit #1
hetero-2-2-mer
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Model
Reference
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