Structure of PDB 6a6q Chain A Binding Site BS02

Receptor Information
>6a6q Chain A (length=345) Species: 273507 (Phanerochaete chrysosporium RP-78) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KRATCSNGKTVGDASCCAWFDVLDDIQQNLFHGGQCGAEAHESIRLVFHD
SIAISPRMEAQGKFGGGGADGSIMIFDDIETAFHPNIGLDEIVKLQKPFV
QKHGVTPGDFIAFAGRVALSNCPGAPQMNFFTGRAPATQPAPDGLVPEPF
HTVDQIIERVNDAGEFDELELVWMLSAHSVAAVNDVDPTVQGLPFDSTPG
IFDSQFFVETQLRGTAFPGSGGNQGEVESPLPGEIRIQSDETIARDSRTA
CEWQSFVNNQSKLVDDFQFIFLALTQLGQDPNAMTDCSDVIPQSKPIPGN
LPFSFFPAGKTIKDVEQACAETPFPTLTTLPGPETSVQRIPPPPG
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 chain6a6q Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6a6q In silico-designed lignin peroxidase fromPhanerochaete chrysosporiumshows enhanced acid stability for depolymerization of lignin.
Resolution1.67 Å
Binding residue
(original residue number in PDB)		D48 G66 D68 S70
Binding residue
(residue number reindexed from 1)		D50 G68 D70 S72
Annotation score1
Enzymatic activity
Enzyme Commision number 1.11.1.14: lignin peroxidase.
Gene Ontology
Molecular Function
GO:0004601 peroxidase activity
GO:0016690 diarylpropane 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

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6a6q, PDBe:6a6q, PDBj:6a6q
PDBsum6a6q
PubMed30555531
UniProtP06181|LIG8_PHACH Ligninase H8 (Gene Name=LPOA)

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