Structure of PDB 1yyg Chain A Binding Site BS02

Receptor Information
>1yyg Chain A (length=357) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVCPDGTRVSHAACCAFIPLAQDLQETIFQNECGEDAHEVIRLTFHDAIA
ISRSQGPKAGGGADGSMLLFPTVEPNFSANNGIDDSVNNLIPFMQKHNTI
SAADLVQFAGAVALSNCPGAPRLEFLAGRPNKTIAAVDGLIPEPQDSVTK
ILQRFEDAGGFTPFEVVSLLASHSVARADKVDQTIDAAPFDSTPFTFDTQ
VFLEVLLKGVGFPGSANNTGEVASPLPLGSGSDTGEMRLQSDFALAHDPR
TACIWQGFVNEQAFMAASFRAAMSKLAVLGHNRNSLIDCSDVVPVPKPAT
GQPAMFPASTGPQDLELSCPSERFPTLTTQPGASQSLIAHCPDGSMSCPG
VQFNGPA
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 chain1yyg Chain A Residue 371 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1yyg High-Resolution Crystal Structure of Manganese Peroxidase: Substrate and Inhibitor Complexes.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		S174 D191 T193 T196 D198
Binding residue
(residue number reindexed from 1)		S174 D191 T193 T196 D198
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R42 H46 H173 F190 D242
Catalytic site (residue number reindexed from 1) R42 H46 H173 F190 D242
Enzyme Commision number 1.11.1.13: manganese peroxidase.
Gene Ontology
Molecular Function
GO:0004601 peroxidase activity
GO:0016689 manganese peroxidase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
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:0046274 lignin 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:1yyg, PDBe:1yyg, PDBj:1yyg
PDBsum1yyg
PubMed15850380
UniProtQ02567|PEM1_PHACH Manganese peroxidase 1 (Gene Name=MNP1)

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