2025-11-29_00000053|ligand|9I0F

Revisited AvNifEN crystal structure; X-ray diffraction 2.40Å
Protein #1 483 residues (96% resolved)

MHHHHHHHMKAKDIAELLDEPACSHNKKEKSGCAKPKPGATDGGCSFDGAQIALLPVADVAHIVHGPIACAGSSWDNRGTRSSGPDLYRIGMTTDLTENDVIMGRAEKRLFHAIRQAVESYSPPAVFVYNTCVPALIGDDVDAVCKAAAERFGTPVIPVDSAGFYGTKNLGNRIAGEAMLKYVIGTREPDPLPVGSERPGIRVHDVNLIGEYNIAGEFWHVLPLLDELGLRVLCTLAGDARYREVQTMHRAEVNMMVCSKAMLNVARKLQETYGTPWFEGSFYGITDTSQALRDFARLLDDPDLTARTEALIAREEAKVRAALEPWRARLEGKRVLLYTGGVKSWSVVSALQDLGMKVVATGTKKSTEEDKARIRELMGDDVKMLDEGNARVLLKTVDEYQADILIAGGRNMYTALKGRVPFLDINQEREFGYAGYDGMLELVRQLCITLECPVWEAVRRPAPWDIPASQDAAPSAPARSANA

MHHHHHHHMKAKDIAELLDEPACSHNKKEKSGCAKPKPGATDGGCSFDGAQIALLPVADVAHIVHGPIACAGSSWDNRGTRSSGPDLYRIGMTTDLTENDVIMGRAEKRLFHAIRQAVESYSPPAVFVYNTCVPALIGDDVDAVCKAAAERFGTPVIPVDSAGFYGTKNLGNRIAGEAMLKYVIGTREPDPLPVGSERPGIRVHDVNLIGEYNIAGEFWHVLPLLDELGLRVLCTLAGDARYREVQTMHRAEVNMMVCSKAMLNVARKLQETYGTPWFEGSFYGITDTSQALRDFARLLDDPDLTARTEALIAREEAKVRAALEPWRARLEGKRVLLYTGGVKSWSVVSALQDLGMKVVATGTKKSTEEDKARIRELMGDDVKMLDEGNARVLLKTVDEYQADILIAGGRNMYTALKGRVPFLDINQEREFGYAGYDGMLELVRQLCITLECPVWEAVRRPAPWDIPASQDAAPSAPARSANA
Protein #2 458 residues (98% resolved)

MAEIINRNKALAVSPLKASQTMGAALAILGLARSMPLFHGSQGCTAFAKVFFVRHFREPVPLQTTAMDQVSSVMGADENVVEALKTICERQNPSVIGLLTTGLSETQGCDLHTALHEFRTQYEEYKDVPIVPVNTPDFSGCFESGFAAAVKAIVETLVPERRDQVGKRPRQVNVLCSANLTPGDLEYIAESIESFGLRPLLIPDLSGSLDGHLDENRFNALTTGGLSVAELATAGQSVATLVVGQSLAGAADALAERTGVPDRRFGMLYGLDAVDAWLMALAEISGNPVPDRYKRQRAQLQDAMLDTHFMLSSARTAIAADPDLLLGFDALLRSMGAHTVAAVVPARAAALVDSPLPSVRVGDLEDLEHAARAGQAQLVIGNSHALASARRLGVPLLRAGFPQYDLLGGFQRCWSGYRGSSQVLFDLANLLVEHHQGIQPYHSIYAQKPATEQPQWRH

MAEIINRNKALAVSPLKASQTMGAALAILGLARSMPLFHGSQGCTAFAKVFFVRHFREPVPLQTTAMDQVSSVMGADENVVEALKTICERQNPSVIGLLTTGLSETQGCDLHTALHEFRTQYEEYKDVPIVPVNTPDFSGCFESGFAAAVKAIVETLVPERRDQVGKRPRQVNVLCSANLTPGDLEYIAESIESFGLRPLLIPDLSGSLDGHLDENRFNALTTGGLSVAELATAGQSVATLVVGQSLAGAADALAERTGVPDRRFGMLYGLDAVDAWLMALAEISGNPVPDRYKRQRAQLQDAMLDTHFMLSSARTAIAADPDLLLGFDALLRSMGAHTVAAVVPARAAALVDSPLPSVRVGDLEDLEHAARAGQAQLVIGNSHALASARRLGVPLLRAGFPQYDLLGGFQRCWSGYRGSSQVLFDLANLLVEHHQGIQPYHSIYAQKPATEQPQWRH
Non polymer #3 1PE

InChI=1S/C10H22O6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h11-12H,1-10H2

C(COCCOCCOCCOCCO)O
Non polymer #4 EDO

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

C(CO)O
Non polymer #5 MG

InChI=1S/Mg/q+2

[Mg+2]
Non polymer #6 PEG

InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2

C(COCCO)O
Non polymer #7 PG4

InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2

C(COCCOCCOCCO)O
Non polymer #8 PGE

InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2

C(COCCOCCO)O
Non polymer #9 S5Q

InChI=1S/C.8Fe.9S/q+2;;;;;;;;;;;;6*-1

[C+2]12345[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[Fe]9[S-]12
Non polymer #10 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