Structure of PDB 5j85 Chain A Binding Site BS01

Receptor Information
>5j85 Chain A (length=576) Species: 386 (Rhizobium leguminosarum bv. trifolii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KAEWPRKLRSQEWYGGTSRDVIYHRGWLKNQGYPHDLFDGRPVIGILNTW
SDMTPCNGHLRELAEKVKAGVWEAGGFPLEVPVFSASENTFRPTAMMYRN
LAALAVEEAIRGQPMDGCVLLVGCDKTTPSLLMGAASCDLPSIVVTGGPM
LNGYFRGERVGSGTHLWKFSEMVKAGEMTQAEFLEAEASMSRSSGTCNTM
GTASTMASMAEALGMALSGNAAIPGVDSRRKVMAQLTGRRIVQMVKDDLK
PSEIMTKQAFENAIRTNAAIGGSTNAVIHLLAIAGRVGIDLSLDDWDRCG
RDVPTIVNLMPSGKYLMEEFFYAGGLPVVLKRLGEAGLLHKDALTVSGET
VWDEVKDVVNWNEDVILPAEKALTSSGGIVVLRGNLAPKGAVLKPSAASP
HLLVHKGRAVVFEDIDDYKAKINDDNLDIDENCIMVMKNCGPKGYPGMAE
VGNMGLPPKVLKKGILDMVRISDARMAGTAYGTVVLHTSPEAAVGGPLAV
VKNGDMIELDVPNRRLHLDISDEELARRLAEWQPNHDLPTSGYAFLHQQH
VEGADTGADLDFLKGCRGNAVGKDSH
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 chain5j85 Chain A 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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PDB5j85 The Crystal Structure of a Bacterial l-Arabinonate Dehydratase Contains a [2Fe-2S] Cluster.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		C59 N92 C127 D128 T199 C200
Binding residue
(residue number reindexed from 1)		C56 N89 C124 D125 T196 C197
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016829 lyase activity
GO:0016836 hydro-lyase activity
GO:0046872 metal ion binding
GO:0051537 2 iron, 2 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:5j85, PDBe:5j85, PDBj:5j85
PDBsum5j85
PubMed28574691
UniProtI9XDU6

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