Structure of PDB 5k90 Chain C Binding Site BS01

Receptor Information
>5k90 Chain C (length=174) Species: 395961 (Cyanothece sp. PCC 7425) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NNRYSFIGGRTGQWQVVKIRNVLGPGLQLVEKVNILNGDSAWRLQGFASN
IRYAIRTELEALQAVQPMLNRAEAILAVLIPIKKSAQWWEMAQDERRDIF
ERESHHTAVGLEYLPGVARRLLHCRDLGEEFDFLTWFEFAPEHSSAFNEL
LLRMRASKEWEYVEREVEVWLKRL
Ligand information
Ligand IDIS8
InChIInChI=1S/CHNS/c2-1-3/h2H
InChIKeyGRHBQAYDJPGGLF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6C(=N)=S
CACTVS 3.385N=C=S
FormulaC H N S
Nameisothiocyanate
ChEMBLCHEMBL1161685
DrugBank
ZINC
PDB chain5k90 Chain C Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5k90 Molecular Mechanism of Enzymatic Chlorite Detoxification: Insights from Structural and Kinetic Studies.
Resolution1.28 Å
Binding residue
(original residue number in PDB)		R128 L129 F145
Binding residue
(residue number reindexed from 1)		R120 L121 F137
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0020037 heme binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5k90, PDBe:5k90, PDBj:5k90
PDBsum5k90
PubMed29142780
UniProtB8HNS6

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