Structure of PDB 4la3 Chain B Binding Site BS01

Receptor Information
>4la3 Chain B (length=189) Species: 644107 (Ruegeria lacuscaerulensis ITI-1157) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLENVLEAARHLHQTLPALSEFGNWPTDLTATGLQPRAIPATPLVQALDQ
PGSPRTTGLVQAIRSAAHLAHWKRTYTEAEVGADFRNRYGYFELFGPTGH
FHSTQLRGYVAYWGAGLDYDWHSHQAEELALTLAGGAVFKVDGERAFVGA
EGTRLHASWQSHAMSTGDQPILTFVLWRGEGLNALPRMD
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain4la3 Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4la3 Molecular insight into bacterial cleavage of oceanic dimethylsulfoniopropionate into dimethyl sulfide
Resolution2.701 Å
Binding residue
(original residue number in PDB)		H125 E129 H163
Binding residue
(residue number reindexed from 1)		H124 E128 H162
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:4la3, PDBe:4la3, PDBj:4la3
PDBsum4la3
PubMed24395783
UniProtD0CY60|DDDQ_RUELI Dimethylsulfonioproprionate lyase DddQ (Gene Name=dddQ)

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