2026-09-05_00000075|medium|25VK

Bacteroides thetaiotaomicron CcsBA mutant W703C; Electron microscopy 2.91Å

Protein #1 828 residues (95% resolved)

Raw Sequence ...

MKLIRLIASPILMYVLAGVYALVLAIATFVENSSGPAVAREYFYYAPWFILLQLLQAVNLLAMFLQGGYFKRISKGSLIFHGALVFIWLGAAVTHYAGVTGIMHIREGETVDRMMRDEGAGMGNASLPFSVTLDDFRLKRYPGSHSPMSYESDLVIKKENEAPLQATVRMNKVIEVDGYRLFQSSFDPDEQGTVLSVSYDRPGMQITYIGYFLLFAGFVLTLFSKKSRFGRLRRELGEMKKNAPFCLLLFLGLSGALGTQASYAQETLSSSQLPCIPAPHARKFGSLVLLNPNGRLEPVNSYTSAILRKLYGADKLNSINSDQFFLNLLAFPDEWGGYPFIKVDNKDILQRFGRDGKYIAWQDVFDADGNYVLTDEVNAIYAKSASERKRMDSDLLKLDESVNIVYRIMQHQLLPLFPDENDVQGKWYSAGDEQTVFHDKDSLFVSKIMDWYIYELGNGVRTNNWKEADKIVDMMHIFQQAKSKTPAIDNQRVKAELLYNQLNLFFWCRLAYLILGGILLFIACGEIIADFKWGSRLSSILIVLLIAAFLAHTTGVLLRWYISERAPWANAYESMICTSWLLVGGGLLFARRFRILPALAGLLGGIMLFVAGLNHLNPEITPLVPVLQSYWLMSHVAIIMIGYVFFALCALTGLFNLILMNLLSATNRVKLLFRIREFTLLNEMAMILGLFFMTAGTFLGAICANVSWGRYWGWDPKETWALISIVVYALVLHIRFIPLLKGKTTWCYNLLSVVSILSIIMTWFGVNYYLSGLHSYGKTEGGDLLLWIWGAGLCVVLALALFARRRLKKYSEFENLYFQSWSHPQFEK

Canonical Sequence ...

Non polymer #2 HEM

InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;

InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;

SMILES: Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O

Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O

Non polymer #3 PTY

InChI=1S/C40H80NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h38H,3-37,41H2,1-2H3,(H,44,45)/t38-/m1/s1

InChI=1S/C40H80NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h38H,3-37,41H2,1-2H3,(H,44,45)/t38-/m1/s1

SMILES: CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN

CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN

Biounit #1 monomer

Reference