Structure of PDB 4x8e Chain A Binding Site BS02

Receptor Information
>4x8e Chain A (length=428) Species: 1078020 (Mycolicibacterium thermoresistibile ATCC 19527) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PHRAELARQLIDARNRTLRLVDFDDAELRRQYDPLMSPLVWDLAHIGQQE
ELWLLRGGDPRRPGLLEPAVEQLYDAFVHPRASRVHLPLLSPAQARRFCA
TVRSAVLDALDRLPEDADTFAFGMVVSHEHQHDETMLQALNLRSGEPLLG
SGTALPPGRPGVAGTSVLVPGGPFVLGVDLADEPYALDNERPAHVVDVPA
FRIGRVPVTNAEWRAFIDDGGYRQRRWWSDAGWAYRCEAGLTAPQFWNPD
GTRTRFGHVEDIPPDEPVQHVTYFEAEAYAAWAGARLPTEIEWEKACAWD
PATGRRRRYPWGDAAPTAALANLGGDALRPAPVGAYPAGASACGAEQMLG
DVWEWTSSPLRPWPGFTPMIYQRYSQPFFEGAGSGDYRVLRGGSWAVAAD
ILRPSFRNWDHPIRRQIFAGVRLAWDVD
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain4x8e Chain A Residue 515 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4x8e Structure of the Sulfoxide Synthase EgtB from the Ergothioneine Biosynthetic Pathway.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		H51 H134 H138
Binding residue
(residue number reindexed from 1)		H45 H128 H132
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.99.50: gamma-glutamyl hercynylcysteine S-oxide synthase.
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity
GO:0005506 iron ion binding
GO:0016491 oxidoreductase activity
GO:0016705 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
GO:0044875 gamma-glutamyl hercynylcysteine sulfoxide synthase activity
GO:0046872 metal ion binding
Biological Process
GO:0052699 ergothioneine biosynthetic process
GO:0052704 ergothioneine biosynthesis from histidine via gamma-glutamyl-hercynylcysteine sulfoxide

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Molecular Function
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Biological Process
External links
PDB RCSB:4x8e, PDBe:4x8e, PDBj:4x8e
PDBsum4x8e
PubMed25597398
UniProtG7CFI3|EGTB_MYCT3 Hercynine oxygenase (Gene Name=egtB)

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