Structure of PDB 4b28 Chain A Binding Site BS01

Receptor Information
>4b28 Chain A (length=437) Species: 375451 (Roseobacter denitrificans OCh 114) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RKIDPSRGATLGDGSPNDMNRVEIGPTQLAFAEWHTARLDLPDLAAMRRF
RHRRLTDHVVARGYAGLLMFDPLNIRYATDSTNMQLWNTHNPFRATLLCA
DGYMVMWDYKNSPFLSEFNPLVREQRAGADLFYFDRGDKVDVAADVFANE
VRILLRDHAPGLRRLAVDKVMLHGLRALQAQGFEIMDGEEVTEKARSVKG
PDEIRAMRCASHACEVAVRKMEDFARSKVGDGVTCENDIWAILHSENVRR
GGEWIETRLLASGPRSNPWFQECGPRVCQRNEIISFDTDLVGAYGICTDI
SRSWWIGDQKPRADMIYAMQHGVEHIRTNMEMLKPGVMIPELSANTHVLD
AKFQKQKYGCLMHGVGLCDEWPLVAYPDHAVAGAYDYPLEPGMTLCVEAL
ISEEGGDFSIKLEDQVLITEDGYENLTKYPFDPALMG
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 chain4b28 Chain A Residue 1446 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4b28 The Structure of Rddddp from Roseobacter Denitrificans Reveals that Dmsp Lyases in the Dddp-Family are Metalloenzymes.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		D295 D297 D307 E421
Binding residue
(residue number reindexed from 1)		D287 D289 D299 E413
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S23
Catalytic site (residue number reindexed from 1) S15
Enzyme Commision number 4.4.1.3: dimethylpropiothetin dethiomethylase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0016829 lyase activity
GO:0046872 metal ion binding
GO:0047869 dimethylpropiothetin dethiomethylase activity

View graph for
Molecular Function
External links
PDB RCSB:4b28, PDBe:4b28, PDBj:4b28
PDBsum4b28
PubMed25054772
UniProtQ166H0|DDDP_ROSDO Dimethylsulfonioproprionate lyase DddP (Gene Name=dddP)

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