2024-12-21_00000144|ligand|9ECN

M. acetivorans MCR containing a 2-methylglutamine modification; X-ray diffraction 2.00Å
Protein #1 570 residues (100% resolved)

MAADIFAKFKKSMEVKFTQEYGSNKQAGGDITGKTEKFLRLGPEQDARKQEMIKAGKEIAEKRGIAFYNPMMHMGAPLGQRAITPYTISGTDIVAEPDDLHYVNNAAMQQMWDDIRRTCIVGLDMAHETLEKRLGKEVTPETINHYLETLNHAMPGAAVVQEMMVETHPALVDDCYVKIFTGDDELADEIDKQYVINVNKMFSEEQAAQIKASIGKTTWQAIHIPTIVSRTTDGAQTSRWAAMQIGMSFISAYAMCAGEAAVADLSFAAK(MHS)AALVSMGEMLPAR(AGM)ARGPNEPGGLSFGHLSDIVQTSRVSKDPAKIALEVVGAGCMLYDQIWLGSYMSGGVGFTQYATAAYTDDILDNNTYYDVDYINDKYNGAANLGTDNKVKATLDVVKDIATESTLYGIETYEKFPTALEDHFGGS(MGN)RATVLAAASGVACALATGNANAGLSGWYLSMYVHKEAWGRLGFF(GL3)FDLQ(DYA)Q(SMC)GATNVLSYQGDEGLPDELRGPNYPNYAMNVGHQGGYAGIAQAAHSGRGDAFTVNPLLKVCFADELMPFNFAEPRREFGRGAIREFMPAGERSLVIPAK

MAADIFAKFKKSMEVKFTQEYGSNKQAGGDITGKTEKFLRLGPEQDARKQEMIKAGKEIAEKRGIAFYNPMMHMGAPLGQRAITPYTISGTDIVAEPDDLHYVNNAAMQQMWDDIRRTCIVGLDMAHETLEKRLGKEVTPETINHYLETLNHAMPGAAVVQEMMVETHPALVDDCYVKIFTGDDELADEIDKQYVINVNKMFSEEQAAQIKASIGKTTWQAIHIPTIVSRTTDGAQTSRWAAMQIGMSFISAYAMCAGEAAVADLSFAAKHAALVSMGEMLPARRARGPNEPGGLSFGHLSDIVQTSRVSKDPAKIALEVVGAGCMLYDQIWLGSYMSGGVGFTQYATAAYTDDILDNNTYYDVDYINDKYNGAANLGTDNKVKATLDVVKDIATESTLYGIETYEKFPTALEDHFGGSQRATVLAAASGVACALATGNANAGLSGWYLSMYVHKEAWGRLGFFGFDLQDQCGATNVLSYQGDEGLPDELRGPNYPNYAMNVGHQGGYAGIAQAAHSGRGDAFTVNPLLKVCFADELMPFNFAEPRREFGRGAIREFMPAGERSLVIPAK
Protein #2 434 residues (100% resolved)

MSDTVDIYDDRGKLLESNVDIMSLAPTRNAAIKKIILDTKRSVAVSLAGIQGALASGKMGGKGRQILGRGLNYDLVGNADAIAENVKNLVQVDEGDDTSVKVIKGGKSLLIQAPSSRIAAGADYMSATTVGAAAVTQTIIDMFGTDMYDAPIAKSAVWGSYPQTMDLMGGNVQGVLSIPQNNEGLGFSLRNIMANHIAAITSRGAMNAAALSSIYEQSGIFEMGGAVGMFERHQLLGLACQGLNANNVVYDIVKENGKDGTIGTVIESIVGRAVEDGVISVDKTAPSGYKFYKANDVPMWNAYAAAGTLAATFVNCGAGRAAQNVSSTLLYFNDILEKETGLPGCDYGKVQGVAVGFSFFSHSIYGGGGPGVFNGNHVVTRHSRGFAIPCVCAAVALDAGTQMFTIESTSGLIGDVFGSIEEFRQPIKAVAGAL

MSDTVDIYDDRGKLLESNVDIMSLAPTRNAAIKKIILDTKRSVAVSLAGIQGALASGKMGGKGRQILGRGLNYDLVGNADAIAENVKNLVQVDEGDDTSVKVIKGGKSLLIQAPSSRIAAGADYMSATTVGAAAVTQTIIDMFGTDMYDAPIAKSAVWGSYPQTMDLMGGNVQGVLSIPQNNEGLGFSLRNIMANHIAAITSRGAMNAAALSSIYEQSGIFEMGGAVGMFERHQLLGLACQGLNANNVVYDIVKENGKDGTIGTVIESIVGRAVEDGVISVDKTAPSGYKFYKANDVPMWNAYAAAGTLAATFVNCGAGRAAQNVSSTLLYFNDILEKETGLPGCDYGKVQGVAVGFSFFSHSIYGGGGPGVFNGNHVVTRHSRGFAIPCVCAAVALDAGTQMFTIESTSGLIGDVFGSIEEFRQPIKAVAGAL
Protein #3 321 residues (77% resolved)

MDYKDHDGDYKDHDIDYKDDDDKGSAASWSHPQFEKGGGSGGGSGGGSWSHPQFEKSGGGGSGGGSGGDDDDKMAYEAQYYPGATSVGANRRKHMSGKLEKLREISDEDLTAVLGHRAPGSDYPSTHPPLAEMGEPACSIREAVAATPGAAAGDRVRYVQFADSMYNAPATPYFRSYFAAINFRGVDPGTLSGRQIVEARERDMEQCAKVQMETEMTDPALAGMRGATVHGHSVRLQEDGVMFDMLDRRRLEGGVIIMDKDQVAIPLDRKVNLGKPMSSEEAAKRTTIYRVDNVAFRDDAEVIEWVHRVFDQRTSYGFQPK

MDYKDHDGDYKDHDIDYKDDDDKGSAASWSHPQFEKGGGSGGGSGGGSWSHPQFEKSGGGGSGGGSGGDDDDKMAYEAQYYPGATSVGANRRKHMSGKLEKLREISDEDLTAVLGHRAPGSDYPSTHPPLAEMGEPACSIREAVAATPGAAAGDRVRYVQFADSMYNAPATPYFRSYFAAINFRGVDPGTLSGRQIVEARERDMEQCAKVQMETEMTDPALAGMRGATVHGHSVRLQEDGVMFDMLDRRRLEGGVIIMDKDQVAIPLDRKVNLGKPMSSEEAAKRTTIYRVDNVAFRDDAEVIEWVHRVFDQRTSYGFQPK
Non polymer #4 F43

InChI=1S/C42H52N6O13.Ni/c1-40(16-30(43)50)22(5-9-33(54)55)27-15-42-41(2,17-31(51)48-42)23(6-10-34(56)57)26(47-42)13-24-20(11-35(58)59)19(4-8-32(52)53)39(45-24)37-28(49)7-3-18-21(12-36(60)61)25(46-38(18)37)14-29(40)44-27;/h13,18-23,25,27H,3-12,14-17H2,1-2H3,(H9,43,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61);/q;+2/p-1/t18-,19-,20-,21-,22+,23+,25+,27-,40-,41-,42-;/m0./s1

C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8N6C(=C9C(=O)CC[C@@H]1C9=[N]7[C@H](C5)[C@H]1CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O
Non polymer #5 PEG

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

C(COCCO)O
Non polymer #6 SHT

InChI=1S/C13H24NO10PS3/c1-10(24-25(18,19)20)12(13(16)17)14-11(15)6-4-2-3-5-7-26-27-8-9-28(21,22)23/h4,6,10,12H,2-3,5,7-9H2,1H3,(H,14,15)(H,16,17)(H2,18,19,20)(H,21,22,23)/b6-4+/t10-,12+/m1/s1

C[C@H]([C@@H](C(=O)O)NC(=O)C=CCCCCSSCCS(=O)(=O)O)OP(=O)(O)O
Non polymer #7 TP7

InChI=1S/C11H22NO7PS/c1-8(19-20(16,17)18)10(11(14)15)12-9(13)6-4-2-3-5-7-21/h8,10,21H,2-7H2,1H3,(H,12,13)(H,14,15)(H2,16,17,18)/t8-,10+/m1/s1

C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O
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Reference