Structure of PDB 6a6q Chain A Binding Site BS03

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 403 [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)
S177 D194 T196 I199 D201
Binding residue
(residue number reindexed from 1)
S179 D196 T198 I201 D203
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

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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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