Structure of PDB 6qne Chain D Binding Site BS01

Receptor Information
>6qne Chain D (length=307) Species: 2283 (Acidianus ambivalens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKPYVAINMAELKNEPKTFEMFASVGPKVCMVTARHPGFVGFQNHIQIGI
LPFGNRYGGAKMDMTKESSTVRVLQYTFWKDWKDHEEMHRQNWSYLFRLC
GSCASQMIWGPWEPIYEIIYANMPINTEMTDFTAVVGKKFAEGKPLDIPV
ISQPYGKRVVAFAEHSVIPGKEKQFEDAIVRTLEMLKKAPGFLGAMVLKE
IGVSGIGSMQFGAKGFHQVLENPGSLEPDPNNVMYSVPEAKNTPQQYIVH
VEWANTDALMFGMGRVLLYPELRQVHDEVLDTLVYGPYIRILNPMMEGTF
WREYLNE
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 chain6qne Chain D Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6qne X-ray Structure of a self-compartmentalizing sulfur cycle metalloenzyme.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		H86 H90 E114
Binding residue
(residue number reindexed from 1)		H85 H89 E113
Annotation score1
Enzymatic activity
Enzyme Commision number 1.13.11.55: sulfur oxygenase/reductase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0033755 sulfur oxygenase/reductase activity
GO:0046872 metal ion binding
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Cellular Component
External links
PDB RCSB:6qne, PDBe:6qne, PDBj:6qne
PDBsum6qne
PubMed
UniProtP29082|SOR_ACIAM Sulfur oxygenase/reductase (Gene Name=sor)

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