Structure of PDB 1ly8 Chain B Binding Site BS02

Receptor Information
>1ly8 Chain B (length=338) Species: 5346 (Coprinopsis cinerea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GGSVTCPGGQSTSNSQCCVWFDVLDDLQTNFYQGSKCESPVRKSLRIAFH
DAIGFSPALTAAGQFGGGGADGSIIAHSNIELAFPANGGLTDTVEALRAV
GINHGVSFGDLIQFAAAVGMSNCPGSPRLEFLTGRSNSSQPSPPSLIPGP
GNTVTAILDRFGDAGFSPDEVVDLLAAHSLASQEGLNSAIFRSPLDSTPQ
VFDTQFYIETLLKGTTQPGPSLGFAEELSPFPGGFRIRSDALLARDSRTA
CRWQSMTSSNEVMGQRFRAAMAKMSVLGFDRNALTDCSDVIPSAVSNNAA
PVIPGGLTVDDIEVSCPSEPFPEIATASGPLPSLAPAP
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain1ly8 Chain B Residue 9002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		D56 G74 D76 S78
Binding residue
(residue number reindexed from 1)		D51 G69 D71 S73
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R51 H55 H183 L200 D245
Catalytic site (residue number reindexed from 1) R46 H50 H178 L195 D240
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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