Structure of PDB 5a13 Chain D Binding Site BS02

Receptor Information
>5a13 Chain D (length=242) Species: 31872 (Magnetospirillum sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MADRAKLLTTPGVFGNFSTYKVRADYMKLPAAERKAAAAEAQMVIDKHKD
KVIVDTYLTRGLGAGSDYLLRVHSTDMAATQAFLVDWRATKLGMYSDVTE
NLVGITKALNYISKDKSPDLNAGLSSATYSDSAPRYVIVIPVKKDAAWWN
MSDEQRLKEIEVHTQPTLQYLVNVKRKLYHSTGLADADFITYFETADLAA
FNNLLIALAKVPENTHHVRWGNPTVLGTIQSADVLVKTLSGM
Ligand information
Ligand IDSCN
InChIInChI=1S/CHNS/c2-1-3/h3H/p-1
InChIKeyZMZDMBWJUHKJPS-UHFFFAOYSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(#N)[S-]
ACDLabs 10.04
CACTVS 3.341		[S-]C#N
FormulaC N S
NameTHIOCYANATE ION
ChEMBL
DrugBank
ZINC
PDB chain5a13 Chain D Residue 251 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5a13 Ligand Binding to Chlorite Dismutase from Magnetospirillum Sp.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		R183 K184 L185 T198
Binding residue
(residue number reindexed from 1)		R176 K177 L178 T191
Annotation score1
Enzymatic activity
Enzyme Commision number 1.13.11.49: chlorite O2-lyase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
GO:0050587 chlorite O2-lyase activity

View graph for
Molecular Function
External links
PDB RCSB:5a13, PDBe:5a13, PDBj:5a13
PDBsum5a13
PubMed26287794
UniProtA0A0M3KL47

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