2026-10-17_00000176|ligand|9SY9

Crystal structure of the diheme 4D2 (mutant T19D) with bound Fe(III) 2,4-diformyl deuteroporphyrin IX; X-ray diffraction 2.00Å
Protein #1 112 residues (94% resolved)

GSPELREKHRALAEQVYADGQEMLKNTSNSPELREKHRALAEQVYATGQEMLKNGSVSPSPELREKHRALAEQVYATGQEMLKNTSNSPELREKHRALAEQVYATGQEMLKN

GSPELREKHRALAEQVYADGQEMLKNTSNSPELREKHRALAEQVYATGQEMLKNGSVSPSPELREKHRALAEQVYATGQEMLKNTSNSPELREKHRALAEQVYATGQEMLKN
Non polymer #2 A1JTU

InChI=1S/C32H30N4O6.Fe/c1-15-19(5-7-31(39)40)27-12-28-20(6-8-32(41)42)16(2)25(34-28)10-29-22(14-38)18(4)26(36-29)11-30-21(13-37)17(3)24(35-30)9-23(15)33-27;/h9-14H,5-8H2,1-4H3,(H4,33,34,35,36,37,38,39,40,41,42);/q;+2/p-2/b23-9-,24-9-,25-10-,26-11-,27-12-,28-12-,29-10-,30-11-;

Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=O)C(=C(C7=C2)C)C=O)C)CCC(=O)O
Non polymer #3 CL

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

[Cl-]
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