Structure of PDB 2gcu Chain A Binding Site BS01

Receptor Information
>2gcu Chain A (length=244) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKLLFRQLFENESSTFTYLLADVSHPDKPALLIDPVDKTVDRDLKLIDEL
GLKLIYAMNTHVHADHVTGTGLLKTKLPGVKSVISKASGSKADLFLEPGD
KVSIGDIYLEVRATPGHTAGCVTYVTGEGADQPQPRMAFTGDAVLIRGCG
RTDFQEGSSDQLYESVHSQIFTLPKDTLIYPAHDYKGFEVSTVGEEMQHN
PRLTKDKETFKTIMSNLNLSYPKMIDVAVPANMVCGLQDVPSQA
Ligand information
Ligand IDFE2
InChIInChI=1S/Fe/q+2
InChIKeyCWYNVVGOOAEACU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Fe+2]
CACTVS 3.341[Fe++]
FormulaFe
NameFE (II) ION
ChEMBL
DrugBankDB14510
ZINC
PDB chain2gcu Chain A Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2gcu Structure of an ETHE1-like protein from Arabidopsis thaliana.
Resolution1.477 Å
Binding residue
(original residue number in PDB)		H72 H128 D153
Binding residue
(residue number reindexed from 1)		H61 H117 D142
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H72 H74 D76 H77 H128 D153 H194
Catalytic site (residue number reindexed from 1) H61 H63 D65 H66 H117 D142 H183
Enzyme Commision number 1.13.11.18: persulfide dioxygenase.
Gene Ontology
Molecular Function
GO:0050313 sulfur dioxygenase activity
Biological Process
GO:0006749 glutathione metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:2gcu, PDBe:2gcu, PDBj:2gcu
PDBsum2gcu
PubMed16929096
UniProtQ9C8L4|ETHE1_ARATH Persulfide dioxygenase ETHE1 homolog, mitochondrial (Gene Name=GLY3)

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