Structure of PDB 1ly8 Chain A Binding Site BS01

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 IDMAN
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-PQMKYFCFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-mannopyranose;
alpha-D-mannose;
D-mannose;
mannose
ChEMBLCHEMBL365590
DrugBank
ZINCZINC000003860903
PDB chain1ly8 Chain A Residue 700 [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)		G238 S338 L339
Binding residue
(residue number reindexed from 1)		G234 S334 L335
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
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1ly8, PDBe:1ly8, PDBj:1ly8
PDBsum1ly8
PubMed12777761
UniProtP28314|PER_COPCI Peroxidase (Gene Name=CIP1)

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