Structure of PDB 5j84 Chain C Binding Site BS02

Receptor Information
>5j84 Chain C (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 IDFES
InChIInChI=1S/2Fe.2S
InChIKeyNIXDOXVAJZFRNF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04[Fe]1S[Fe]S1
CACTVS 3.341
OpenEye OEToolkits 1.5.0		S1[Fe]S[Fe]1
FormulaFe2 S2
NameFE2/S2 (INORGANIC) CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain5j84 Chain C Residue 602 [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)		C59 N92 C127 D128 T199 C200
Binding residue
(residue number reindexed from 1)		C55 N88 C123 D124 T195 C196
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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