Structure of PDB 5jso Chain B Binding Site BS01

Receptor Information
>5jso Chain B (length=190) Species: 644107 (Ruegeria lacuscaerulensis ITI-1157) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTLENVLEAARHLHQTLPALSEFGNWPTDLTATGLQPRAIPATPLVQALD
QPGSPRTTGLVQAIRSAAHLAHWKRTYTEAEVGADFRNRYGYFELFGPTG
HFHSTQLRGYVAYWGAGLDYDWHSHQAEELYLTLAGGAVFKVDGERAFVG
AEGTRLHASWQSHAMSTGDQPILTFVLWRGEGLNALPRMD
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 chain5jso Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5jso New Mechanistic Insight from Substrate- and Product-Bound Structures of the Metal-Dependent Dimethylsulfoniopropionate Lyase DddQ.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H123 H125 E129 H163
Binding residue
(residue number reindexed from 1)		H123 H125 E129 H163
Annotation score1
Enzymatic activity
Enzyme Commision number 4.4.1.3: dimethylpropiothetin dethiomethylase.
Gene Ontology
Molecular Function
GO:0016829 lyase activity
GO:0046872 metal ion binding
GO:0047869 dimethylpropiothetin dethiomethylase activity

View graph for
Molecular Function
External links
PDB RCSB:5jso, PDBe:5jso, PDBj:5jso
PDBsum5jso
PubMed27755868
UniProtD0CY60|DDDQ_RUELI Dimethylsulfonioproprionate lyase DddQ (Gene Name=dddQ)

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