Structure of PDB 1ly8 Chain A Binding Site BS04

Receptor Information
>1ly8 Chain A (length=339) Species: 5346 (Coprinopsis cinerea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GGGSVTCPGGQSTSNSQCCVWFDVLDDLQTNFYQGSKCESPVRKSLRIAF
HDAIGFSPALTAAGQFGGGGADGSIIAHSNIELAFPANGGLTDTVEALRA
VGINHGVSFGDLIQFAAAVGMSNCPGSPRLEFLTGRSNSSQPSPPSLIPG
PGNTVTAILDRFGDAGFSPDEVVDLLAAHSLASQEGLNSAIFRSPLDSTP
QVFDTQFYIETLLKGTTQPGPSLGFAEELSPFPGGFRIRSDALLARDSRT
ACRWQSMTSSNEVMGQRFRAAMAKMSVLGFDRNALTDCSDVIPSAVSNNA
APVIPGGLTVDDIEVSCPSEPFPEIATASGPLPSLAPAP
Ligand information
Ligand IDHEM
InChIInChI=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-;
InChIKeyKABFMIBPWCXCRK-RGGAHWMASA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c2n3c(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
CACTVS 3.385CC1=C(CCC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N|6C(=Cc4c(C)c3CCC(O)=O)C(=C8C=C)C)c(C)c7C=C
ACDLabs 12.01C=1c3c(c(c4C=C5C(=C(C=6C=C7C(=C(C8=CC=2C(=C(C=1N=2[Fe](n34)(N5=6)N78)CCC(=O)O)C)\C=C)C)\C=C)C)C)CCC(=O)O
FormulaC34 H32 Fe N4 O4
NamePROTOPORPHYRIN IX CONTAINING FE;
HEME
ChEMBL
DrugBankDB18267
ZINC
PDB chain1ly8 Chain A Residue 344 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1ly8 The structure of a mutant enzyme of Coprinus cinereus peroxidase provides an understanding of its increased thermostability.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		R47 F54 G154 P155 F166 L179 L180 A182 H183 A186 S187 Q188 E189 G190 L191 F272
Binding residue
(residue number reindexed from 1)		R43 F50 G150 P151 F162 L175 L176 A178 H179 A182 S183 Q184 E185 G186 L187 F268
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R51 H55 H183 L200 D245
Catalytic site (residue number reindexed from 1) R47 H51 H179 L196 D241
Enzyme Commision number 1.11.1.7: peroxidase.
Gene Ontology
Molecular Function
GO:0004601 peroxidase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
GO:0140825 lactoperoxidase activity
Biological Process
GO:0000302 response to reactive oxygen species
GO:0006979 response to oxidative stress
GO:0034599 cellular response to oxidative stress
GO:0042744 hydrogen peroxide catabolic process
GO:0098869 cellular oxidant detoxification
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1ly8, PDBe:1ly8, PDBj:1ly8
PDBsum1ly8
PubMed12777761
UniProtP28314|PER_COPCI Peroxidase (Gene Name=CIP1)

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