2024-10-12_00000108|medium|8UEM

The CryoEM structure of the high affinity Carbon monoxide dehydrogenase from Mycobacterium smegmatis; Electron microscopy 1.85Å
Protein #1 799 residues (98% resolved)

MTTLENPVERPEDTAVNDAKPCGHGRMLRKEDPRFIRGRGNYVDDVKLPGMLHLAILRSPYAHATINSIDVTAAQAHPKVKAVVTGADLAAKGLAWMPTLSNDVQAVLATDKVRFQGQEVAFVVAEDRYSARDALELIDVDYEPLDPVIDARHALDPGAPVIRTDLDGKTDNHCFDWETGDAAATDAVFAKADVVVKQEMVYPRVHPAPMETCGAVADLDPVTRKLTLWSTTQAPHAHRTLYALVAGLPEHKIRVISPDIGGGFGNKVPIYPGYVCAIVGSLLLGKPVKWMEDRSENLTSTGFARDYIMVGEIAATRDGKILAIRSNVLADHGAFNGTAAPVKYPAGFFGVFTGSYDIEAAYCHMTAVYTNKAPGGVAYACSFRITEAVYFVERLVDCLAYELKMDPAQLRLQNLLKAEQFPYTSKTGWVYDSGDYEKTMRLAMEMVDYEGLRAEQAEKRKRGELMGIGMSFFTEAVGAGPRKDMDILGLGMADGCELRVHPTGKAVVRLSVQSQGQGHETTFAQIVAEELGIPPEDIDVVHGDTDQTPFGLGTYGSRSTPVSGAAAALVARKVRDKAKIIAAGMLEASIADLEWDKGSFHIKGDPSASVTIADIAMRAHGAGDLPEGLEGGLDAQICYNPSNLTYPYGAYFCVVDIDPGTAVVKVRRFVAVDDCGTRINPMIIEGQIHGGLVDGIGMALMEMIAFDEDGNCLGGSLMDYLIPTAMEVPHFETGHTVTPSPHHPIGAKGIGESATVGSPPAVVNAVVDALAPYGVRHADMPLTPSRVWEAMQGRATPPI

MTTLENPVERPEDTAVNDAKPCGHGRMLRKEDPRFIRGRGNYVDDVKLPGMLHLAILRSPYAHATINSIDVTAAQAHPKVKAVVTGADLAAKGLAWMPTLSNDVQAVLATDKVRFQGQEVAFVVAEDRYSARDALELIDVDYEPLDPVIDARHALDPGAPVIRTDLDGKTDNHCFDWETGDAAATDAVFAKADVVVKQEMVYPRVHPAPMETCGAVADLDPVTRKLTLWSTTQAPHAHRTLYALVAGLPEHKIRVISPDIGGGFGNKVPIYPGYVCAIVGSLLLGKPVKWMEDRSENLTSTGFARDYIMVGEIAATRDGKILAIRSNVLADHGAFNGTAAPVKYPAGFFGVFTGSYDIEAAYCHMTAVYTNKAPGGVAYACSFRITEAVYFVERLVDCLAYELKMDPAQLRLQNLLKAEQFPYTSKTGWVYDSGDYEKTMRLAMEMVDYEGLRAEQAEKRKRGELMGIGMSFFTEAVGAGPRKDMDILGLGMADGCELRVHPTGKAVVRLSVQSQGQGHETTFAQIVAEELGIPPEDIDVVHGDTDQTPFGLGTYGSRSTPVSGAAAALVARKVRDKAKIIAAGMLEASIADLEWDKGSFHIKGDPSASVTIADIAMRAHGAGDLPEGLEGGLDAQICYNPSNLTYPYGAYFCVVDIDPGTAVVKVRRFVAVDDCGTRINPMIIEGQIHGGLVDGIGMALMEMIAFDEDGNCLGGSLMDYLIPTAMEVPHFETGHTVTPSPHHPIGAKGIGESATVGSPPAVVNAVVDALAPYGVRHADMPLTPSRVWEAMQGRATPPI
Protein #2 296 residues (98% resolved)

MQVPGPFEYERATSVDHAVGLLDRLGEDARIVAGGHSLLPMMKLRIANPEYLVDINDLAVELGYVITDPTLVRIGAMARHRQVLESDPLAAVCPIFRDAERVIADPVVRNRGTLGGSLCQADPAEDLTTVCTILGAVCLARGPGGEREIGIDDFLVGPYETALAHNEMLVEVRIPVRHRTSSAYAKVERRVGDWAVTAAGAQVTLDGDSIVAARVGLTAVNPDPDALRALADDLIGKPATEETFAAAGELAVQACEPVTDTRGSADYKRHLARELTIRTMRTAVERVRTAPAPEGN

MQVPGPFEYERATSVDHAVGLLDRLGEDARIVAGGHSLLPMMKLRIANPEYLVDINDLAVELGYVITDPTLVRIGAMARHRQVLESDPLAAVCPIFRDAERVIADPVVRNRGTLGGSLCQADPAEDLTTVCTILGAVCLARGPGGEREIGIDDFLVGPYETALAHNEMLVEVRIPVRHRTSSAYAKVERRVGDWAVTAAGAQVTLDGDSIVAARVGLTAVNPDPDALRALADDLIGKPATEETFAAAGELAVQACEPVTDTRGSADYKRHLARELTIRTMRTAVERVRTAPAPEGN
Protein #3 158 residues (97% resolved)

MQVTMTVNGEAVTADVEPRMLLVHFLRDQLGLTGTHWGCDTSNCGTCVVEVDGEPVKSCTMLAAMASGHSVNTVEGMEVDGKLDPVQEGFMQCHGLQCGFCTPGMMITARALLRQNPDPTEEEIREAISGQICRCTGYTTIVRSVQWAARHAREEAKA

MQVTMTVNGEAVTADVEPRMLLVHFLRDQLGLTGTHWGCDTSNCGTCVVEVDGEPVKSCTMLAAMASGHSVNTVEGMEVDGKLDPVQEGFMQCHGLQCGFCTPGMMITARALLRQNPDPTEEEIREAISGQICRCTGYTTIVRSVQWAARHAREEAKA
Non polymer #4 CUN

InChI=1S/Cu.Mo.H2O.O.S/h;;1H2;;/q+1;+5;;;/p-1

O[Mo+4](=O)S[Cu+]
Non polymer #5 FAD

InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1

Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O
Non polymer #6 FES

InChI=1S/2Fe.2S

S1[Fe]S[Fe]1
Non polymer #7 MCN

InChI=1S/C19H22N8O13P2S2/c20-7-1-2-27(19(31)22-7)17-11(29)10(28)5(39-17)3-36-41(32,33)40-42(34,35)37-4-6-12(43)13(44)8-16(38-6)24-14-9(23-8)15(30)26-18(21)25-14/h1-2,5-6,10-11,17,28-29,43-44H,3-4H2,(H,32,33)(H,34,35)(H2,20,22,31)(H3,21,24,25,26,30)/t5-,6-,10-,11-,17-/m1/s1

C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3C(=C(c4c(nc5c(n4)c(nc(n5)N)O)O3)S)S)O)O
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Reference