2026-09-05_00000294|hard|9XHP

The complex structure of SoBcmD and its substrate; X-ray diffraction 1.41Å
Protein #1 487 residues (94% resolved)

MTELSDIPFPGAIAHHCPHQQPDGDHYDAFHESTVVKGEHASTYFEASGISATARANGGICTFRMEGDLALYQITNQPLVQDDILRPTTEAAGELFGEFMGSLPNDHPDRPAKRAAIERFLGSGKFIDELTPHVRTYARTYLERVSGRRMPVNEFAIGMVSYIDSMVPGVLDLRERPVSEYLESPVYGNVIRGFFEIASEVISKVNRDAMREFDVIVPFVRDLLLENFGSLSDAPASNLIRQYFAMWERPFTRETIRELEPGKVKELGTVIVATYDTTALTLTWALGFLETSPRHKAEVVAHTRQPHDDSALSVVDFVVLEAVRLSGGNPTALWRRTMEPISIVHEGKDLDIPAGTMMWLDRRQANQDPAVFNNPQEFDPDNVSALVQSGRETISSLLSRNRYEINSFSMVNAERNPRKCPGRLFAVRMQSIILSELYERYRVTVTDADLSLRKHTSMPRPAQPGTIVIEPAADGNPAELEHHHHHH

MTELSDIPFPGAIAHHCPHQQPDGDHYDAFHESTVVKGEHASTYFEASGISATARANGGICTFRMEGDLALYQITNQPLVQDDILRPTTEAAGELFGEFMGSLPNDHPDRPAKRAAIERFLGSGKFIDELTPHVRTYARTYLERVSGRRMPVNEFAIGMVSYIDSMVPGVLDLRERPVSEYLESPVYGNVIRGFFEIASEVISKVNRDAMREFDVIVPFVRDLLLENFGSLSDAPASNLIRQYFAMWERPFTRETIRELEPGKVKELGTVIVATYDTTALTLTWALGFLETSPRHKAEVVAHTRQPHDDSALSVVDFVVLEAVRLSGGNPTALWRRTMEPISIVHEGKDLDIPAGTMMWLDRRQANQDPAVFNNPQEFDPDNVSALVQSGRETISSLLSRNRYEINSFSMVNAERNPRKCPGRLFAVRMQSIILSELYERYRVTVTDADLSLRKHTSMPRPAQPGTIVIEPAADGNPAELEHHHHHH
Non polymer #2 8KI

InChI=1S/C12H20N2O6/c1-6-3-4-20-12(9(17)11(2,19)5-15)10(18)13-7(6)8(16)14-12/h6-7,9,15,17,19H,3-5H2,1-2H3,(H,13,18)(H,14,16)/t6-,7-,9-,11-,12-/m0/s1

C[C@H]1CCO[C@]2(C(=O)N[C@@H]1C(=O)N2)[C@H]([C@](C)(CO)O)O
Non polymer #3 CL

InChI=1S/ClH/h1H/p-1

[Cl-]
Non polymer #4 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-;

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
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Reference