Structure of PDB 2yaw Chain C Binding Site BS01

Receptor Information
>2yaw Chain C (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
YSCASQMIWGPWEPIYEIIYANMPINTEMTDFTAVVGKKFAEGKPLDIPV
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 chain2yaw Chain C Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2yaw Substrate Pathways and Mechanisms of Inhibition in the Sulfur Oxygenase Reductase of Acidianus Ambivalens.
Resolution2.499 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

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:2yaw, PDBe:2yaw, PDBj:2yaw
PDBsum2yaw
PubMed21747782
UniProtP29082|SOR_ACIAM Sulfur oxygenase/reductase (Gene Name=sor)

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