Structure of PDB 5j84 Chain F Binding Site BS01

Receptor Information
>5j84 Chain F (length=575) Species: 395492 (Rhizobium leguminosarum bv. trifolii WSM2304) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AEWPRKLRSQEWYGGTSRDVIYHRGWLKNQGYPHDLFDGRPVIGILNTWS
DMTPCNGHLRELAEKVKAGVWEAGGFPLEVPVFSASENTFRPTAMMYRNL
AALAVEEAIRGQPMDGCVLLVGCDKTTPSLLMGAASCDLPSIVVTGGPML
NGYFRGERVGSGTHLWKFSEMVKAGEMTQAEFLEAEASMSRSSGTCNTMG
TASTMASMAEALGMALSGNAAIPGVDSRRKVMAQLTGRRIVQMVKDDLKP
SEIMTKQAFENAIRTNAAIGGSTNAVIHLLAIAGRVGIDLSLDDWDRCGR
DVPTIVNLMPSGKYLMEEFFYAGGLPVVLKRLGEAGLLHKDALTVSGETV
WDEVKDVVNWNEDVILPAEKALTSSGGIVVLRGNLAPKGAVLKPSAASPH
LLVHKGRAVVFEDIDDYKAKINDDNLDIDENCIMVMKNCGPKGYPGMAEV
GNMGLPPKVLKKGILDMVRISDARMSGTAYGTVVLHTSPEAAVGGPLAVV
KNGDMIELDVPNRRLHLDISDEELARRLAEWQPNHDLPTSGYAFLHQQHV
EGADTGADLDFLKGCRGNAVGKDSH
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 chain5j84 Chain F Residue 601 [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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PDB5j84 The Crystal Structure of a Bacterial l-Arabinonate Dehydratase Contains a [2Fe-2S] Cluster.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		E91 D128 K129 E453
Binding residue
(residue number reindexed from 1)		E87 D124 K125 E449
Annotation score1
Enzymatic activity
Enzyme Commision number 4.2.1.25: L-arabinonate dehydratase.
4.2.1.6: galactonate dehydratase.
4.2.1.67: D-fuconate dehydratase.
Gene Ontology
Molecular Function
GO:0008869 galactonate dehydratase activity
GO:0016829 lyase activity
GO:0016836 hydro-lyase activity
GO:0046872 metal ion binding
GO:0047818 D-fuconate dehydratase activity
GO:0050020 L-arabinonate dehydratase activity
GO:0051537 2 iron, 2 sulfur cluster binding
Biological Process
GO:0019568 arabinose catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5j84, PDBe:5j84, PDBj:5j84
PDBsum5j84
PubMed28574691
UniProtB5ZZ34|ARAD_RHILW L-arabinonate dehydratase (Gene Name=araD)

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