Structure of PDB 3rra Chain A Binding Site BS01

Receptor Information
>3rra Chain A (length=374) Species: 402626 (Ralstonia pickettii 12J) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VKITRLTTYRLPPRWMFLKVETDEGVTGWGEPVIEGRARTVEAAVHELSD
YLIGQDPSRINDLWQTMYRAGFYRGGPILMSAIAGIDQALWDIKGKVLGV
PVYELLGGLVRDKMRTYSWVGGDRPADVIAGMKALQAGGFDHFKLNGCEE
MGIIDTSRAVDAAVARVAEIRSAFGNTVEFGLDFHGRVSAPMAKVLIKEL
EPYRPLFIEEPVLAEQAETYARLAAHTHLPIAAGERMFSRFDFKRVLEAG
GVSILQPDLSHAGGITECVKIAAMAEAYDVALAPHCPLGPIALAACLHVD
FVSWNATLQEQSMELLDYVRNKADFALEGGYIRPPRLPGLGVDIDEALVI
ERSKEAPNPVWRHADGSVAEWAEN
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain3rra Chain A Residue 406 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3rra Crystal structure of enolase PRK14017 from Ralstonia pickettii
Resolution2.3 Å
Binding residue
(original residue number in PDB)		D183 E209 E235
Binding residue
(residue number reindexed from 1)		D183 E209 E235
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) I34 R37 Y117 K144 N146 E150 D183 H185 E209 G234 E235 R236 Q256 D258 H285 P287 E310
Catalytic site (residue number reindexed from 1) I34 R37 Y117 K144 N146 E150 D183 H185 E209 G234 E235 R236 Q256 D258 H285 P287 E310
Enzyme Commision number 4.2.1.6: galactonate dehydratase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0008869 galactonate dehydratase activity
GO:0016829 lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0009063 amino acid catabolic process
GO:0034194 D-galactonate catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3rra, PDBe:3rra, PDBj:3rra
PDBsum3rra
PubMed
UniProtB2UCA8|DGOD_RALPJ D-galactonate dehydratase (Gene Name=dgoD)

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