2025-07-26_00000301|medium|9QDT

Cytochrome c peroxidase YhjA; X-ray diffraction 2.57Å
Protein #1 417 residues (100% resolved)

ENNKVLGFLREKGCDYCHTPSAELPAYYYIPGAKQLMDYDIKLGYKSFNLEAVRAALLADKPVSQSDLNKIEWVMQYETMPPTRYTALHWAGKVSDEERAEILAWIAKQRAEYYASNDTAPEHRNEPVQPIPQKLPTDAQKVALGFALYHDPRLSADSTISCAHCHALNAGGVDGRKTSIGVGGAVGPINAPTVFNSVFNVEQFWDGRAATLQDQAGGPPLNPIEMASKSWDEIIAKLEKDPQLKTQFLEVYPQGFSGENITDAIAEFEKTLITPDSPFDKWLRGDENALTAQQKKGYQLFKDNKCATCHGGIILGGRSFEPLGLKKDFNFGEITAADIGRMNVTKEERDKLRQKVPGLRNVALTAPYFHRGDVPTLDGAVKLMLRYQVGKELPQEDVDDIVAFLHSLNGVYTPYMQ

ENNKVLGFLREKGCDYCHTPSAELPAYYYIPGAKQLMDYDIKLGYKSFNLEAVRAALLADKPVSQSDLNKIEWVMQYETMPPTRYTALHWAGKVSDEERAEILAWIAKQRAEYYASNDTAPEHRNEPVQPIPQKLPTDAQKVALGFALYHDPRLSADSTISCAHCHALNAGGVDGRKTSIGVGGAVGPINAPTVFNSVFNVEQFWDGRAATLQDQAGGPPLNPIEMASKSWDEIIAKLEKDPQLKTQFLEVYPQGFSGENITDAIAEFEKTLITPDSPFDKWLRGDENALTAQQKKGYQLFKDNKCATCHGGIILGGRSFEPLGLKKDFNFGEITAADIGRMNVTKEERDKLRQKVPGLRNVALTAPYFHRGDVPTLDGAVKLMLRYQVGKELPQEDVDDIVAFLHSLNGVYTPYMQ
Non polymer #2 CA

InChI=1S/Ca/q+2

[Ca+2]
Non polymer #3 CL

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

[Cl-]
Non polymer #4 EPE

InChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14)

C1CN(CCN1CCO)CCS(=O)(=O)O
Non polymer #5 HEC

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,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;

CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C
Non polymer #6 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