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Receptor Information

>1bep Chain A (length=291) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

LVHVASVEKGRSYEDFQKVYNAIALKLREDDEYDNYIGYGPVLVRLAWHI
SGTWDKHDNTGGSYGGTYRFKKEFNDPSNAGLQNGFKFLEPIHKEFPWIS
SGDLFSLGGVTAVQEMQGPKIPWRCGRVDTPEDTTPDNGRLPDADKDAGY
VRTFFQRLNMNDREVVALMGAHALGKTHLKNSGYEGPWGAANNVFTNEFY
LNLLNEDWKLEKNDANNEQWDSKSGYMMLPTDYSLIQDPKYLSIVKEYAN
DQDKFFKDFSKAFEKLLEDGITFPKDAPSPFIFKTLEEQGL

Ligand ID

CCH

InChI

InChI=1S/C33H32N4O5.Fe/c1-6-20-16(2)26-13-31-23(15-38)19(5)25(37-31)11-24-17(3)21(7-9-32(39)40)29(35-24)14-30-22(8-10-33(41)42)18(4)27(36-30)12-28(20)34-26;/h6,11-15H,1,7-10H2,2-5H3,(H4,34,35,36,37,38,39,40,41,42);/q;+2/p-2/b24-11-,25-11-,26-13-,27-12-,28-12-,29-14-,30-14-,31-13-;

InChIKey

DQEQQOZHKXGGJW-HLHPXMICSA-L

SMILES

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C=O)C)CCC(=O)O)C
CACTVS 3.385	CC1=C(CCC(O)=O)C2=NC1=Cc3n4[Fe][N]5C(=CC6=NC(=Cc4c(C)c3C=C)C(=C6C)C=O)C(=C(CCC(O)=O)C5=C2)C
CACTVS 3.385	CC1=C(CCC(O)=O)C2=NC1=Cc3n4[Fe][N@]5C(=CC6=NC(=Cc4c(C)c3C=C)C(=C6C)C=O)C(=C(CCC(O)=O)C5=C2)C

Formula

C33 H30 Fe N4 O5

Name

[7-ETHENYL-12-FORMYL-3,8,13,17-TERTRAMETHYL-21H,23H-PORPHINE-2,18-DIPROPANOATO(2)-N21,N22,N23,N24]IRON;
CLOROCRUORO HEM

ChEMBL

DrugBank

ZINC

PDB chain

1bep Chain A Residue 296 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	1bep Crystal Structure of Yeast Cytochrome C Peroxidase Refined at 1.7-A Resolution
Resolution	2.2 Å
Binding residue (original residue number in PDB)	P44 R48 W51 D146 M172 A174 H175 G178 K179 T180 H181 N184 S185 W191
Binding residue (residue number reindexed from 1)	P41 R45 W48 D143 M169 A171 H172 G175 K176 T177 H178 N181 S182 W188
Annotation score	1

Catalytic site (original residue number in PDB)	R48 H52 H175 W191 D235
Catalytic site (residue number reindexed from 1)	R45 H49 H172 W188 D232
Enzyme Commision number	1.11.1.5: cytochrome-c peroxidase.

	Molecular Function
GO:0004601	peroxidase activity
GO:0020037	heme binding

	Biological Process
GO:0006979	response to oxidative stress
GO:0034599	cellular response to oxidative stress

PDB	RCSB:1bep, PDBe:1bep, PDBj:1bep
PDBsum	1bep
PubMed
UniProt	P00431\|CCPR_YEAST Cytochrome c peroxidase, mitochondrial (Gene Name=CCP1)

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Structure of PDB 1bep Chain A Binding Site BS01