Structure of PDB 5e4r Chain A Binding Site BS02

Receptor Information
>5e4r Chain A (length=466) Species: 583356 (Ignisphaera aggregans DSM 17230) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKIYKDEDISLEPIKNKTIAILGYGSQGRAWALNLRDSGLNVVVGLERQG
DSWRRAIDDGFKPMYTKDAVAIADIIVFLVPDMVQKSLWLNSVKDFMKKG
ADLVFAHGFNIHFKIIEPPKDSDVYMIAPKSPGPIVRRSYEMGGGVPALV
AVYQNVSGEALQKALAIAKGIGCARAGVIESTFKEETETDLFGEQVILVG
GIMELIKASFETLVEEGYQPEVAYFETVNELKLIVDLIYEKGLTGMLRAV
SDTAKYGGITVGKFIIDKSVRDKMKIVLERIRSGEFAREWIKEYERGMPT
VFKELSELEGSTIETVGRKLREMMFRGMLFGEQVILVGGIMELIKASFET
LVEEGYQPEVAYFETVNELKLIVDLIYEKGLTGMLRAVSDTAKYGGITVG
KFIIDKSVRDKMKIVLERIRSGEFAREWIKEYERGMPTVFKELSELEGST
IETVGRKLREMMFRGM
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 chain5e4r Chain A Residue 502 [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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PDB5e4r Artificial domain duplication replicates evolutionary history of ketol-acid reductoisomerases.
Resolution1.94 Å
Binding residue
(original residue number in PDB)		D191 E195
Binding residue
(residue number reindexed from 1)		D190 E194
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K131 D191 E195
Catalytic site (residue number reindexed from 1) K130 D190 E194
Enzyme Commision number 1.1.1.383: ketol-acid reductoisomerase [NAD(P)(+)].
Gene Ontology
Molecular Function
GO:0004455 ketol-acid reductoisomerase activity
GO:0016491 oxidoreductase activity
Biological Process
GO:0009082 branched-chain amino acid biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:5e4r, PDBe:5e4r, PDBj:5e4r
PDBsum5e4r
PubMed26644020
UniProtE0SRA9|ILVC_IGNAA Ketol-acid reductoisomerase (NAD(P)(+)) (Gene Name=ilvC)

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