2026-09-12_00000140|medium|44YL

crystal structure of CyaI in complex with the substrate marinacarbolines E; X-ray diffraction 1.50Å
Protein #1 404 residues (98% resolved)

MTDTTTDMVFGLSEIDGIEIDPLFGRLRRERPLARIRMPFGGEGWLVTRYEDVRTVLADPRFSAAAAAGDSVPRMTAVGRPDDTIAGLDPPDHSRLRRLAAPAFSPARLESFRPRATRIASDLLDAVERTGPPADLVTALGLPFPVQVICEILGVPYEDRANFLPWSDAVLSTTAYTAEQAAASLAEMKAYFAHLVERHRVHRHDDLLADLVAARDTTVPGEADRLSEDELVMFALVLLIAGHETTANQIGNSCFLLLSDRSRWEQLVDQPELIPRAVDELLRFVPLVNGVTLPRVAKVDVEIAGGLVRAGEAVFTSTSAANRDERVFEDPERLDLTRRHNPHVAFGHGPHHCIGAQLAKVELQIALGELVRRFPTLRLAGPAEEVPWRRGLVMRGPTELRVSW

MTDTTTDMVFGLSEIDGIEIDPLFGRLRRERPLARIRMPFGGEGWLVTRYEDVRTVLADPRFSAAAAAGDSVPRMTAVGRPDDTIAGLDPPDHSRLRRLAAPAFSPARLESFRPRATRIASDLLDAVERTGPPADLVTALGLPFPVQVICEILGVPYEDRANFLPWSDAVLSTTAYTAEQAAASLAEMKAYFAHLVERHRVHRHDDLLADLVAARDTTVPGEADRLSEDELVMFALVLLIAGHETTANQIGNSCFLLLSDRSRWEQLVDQPELIPRAVDELLRFVPLVNGVTLPRVAKVDVEIAGGLVRAGEAVFTSTSAANRDERVFEDPERLDLTRRHNPHVAFGHGPHHCIGAQLAKVELQIALGELVRRFPTLRLAGPAEEVPWRRGLVMRGPTELRVSW
Non polymer #2 G5I

InChI=1S/C23H21N3O2/c1-15(27)21-22-18(17-10-6-7-11-20(17)26(22)2)14-19(25-21)23(28)24-13-12-16-8-4-3-5-9-16/h3-11,14H,12-13H2,1-2H3,(H,24,28)

CC(=O)c1c2c(cc(n1)C(=O)NCCc3ccccc3)c4ccccc4n2C
Non polymer #3 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
Non polymer #4 NA

InChI=1S/Na/q+1

[Na+]
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Reference