Structure of PDB 5ono Chain A Binding Site BS01

Receptor Information
>5ono Chain A (length=138) Species: 1401 (Paenibacillus lautus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIVKHLEEIVDTKDDIDTTTWNSRRLLLTKDGMGFSLNDTLIKAGTETLI
WYKNHVEAVYCIEGEGEIEVVGGETYPITPGMMYALDGHEKHYLRARSQM
RMVCVFNPPLTGAEVHDEEGTYPLLAPITDNWSHPQFE
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 chain5ono Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ono Illuminating the catalytic core of ectoine synthase through structural and biochemical analysis.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		E57 Y84 H92
Binding residue
(residue number reindexed from 1)		E57 Y84 H92
Annotation score1
Enzymatic activity
Enzyme Commision number 4.2.1.108: ectoine synthase.
Gene Ontology
Molecular Function
GO:0016829 lyase activity
GO:0016836 hydro-lyase activity
GO:0033990 ectoine synthase activity
GO:0046872 metal ion binding
Biological Process
GO:0019491 ectoine biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:5ono, PDBe:5ono, PDBj:5ono
PDBsum5ono
PubMed30674920
UniProtA0A1R1AV52

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