Structure of PDB 4ypo Chain B Binding Site BS01

Receptor Information
>4ypo Chain B (length=325) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MFYDDDADLSIIQGRKVGVIGYGSQGHAHSLSLRDSGVQVRVGLKQGSRS
RPKVEEQGLDVDTPAEVAKWADVVMVLAPDTAQAEIFAGDIEPNLKPGDA
LFFGHGLNVHFGLIKPPADVAVAMVAPKGPGHLVRRQFVDGKGVPCLVAV
EQDPRGDGLALALSYAKAIGGTRAGVIKTTFKDETETDLFGEQTVLCGGT
EELVKAGFEVMVEAGYPAELAYFEVLHELKLIVDLMYEGGLARMYYSVSD
TAEFGGYLSGPRVIDAGTKERMRDILREIQDGSFVHKLVADVEGGNKQLE
ELRRQNAEHPIEVVGKKLRDLMSWV
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 chain4ypo Chain A Residue 410 [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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PDB4ypo Crystal structure of Mycobacterium tuberculosis ketol-acid reductoisomerase at 1.0 angstrom resolution - a potential target for anti-tuberculosis drug discovery.
Resolution1.001 Å
Binding residue
(original residue number in PDB)		E224 E228
Binding residue
(residue number reindexed from 1)		E224 E228
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K128 D188 E192
Catalytic site (residue number reindexed from 1) K128 D188 E192
Enzyme Commision number 1.1.1.86: ketol-acid reductoisomerase (NADP(+)).
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004455 ketol-acid reductoisomerase activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0050661 NADP binding
Biological Process
GO:0008652 amino acid biosynthetic process
GO:0009082 branched-chain amino acid biosynthetic process
GO:0009097 isoleucine biosynthetic process
GO:0009099 L-valine biosynthetic process
Cellular Component
GO:0005829 cytosol
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4ypo, PDBe:4ypo, PDBj:4ypo
PDBsum4ypo
PubMed26876563
UniProtP9WKJ7|ILVC_MYCTU Ketol-acid reductoisomerase (NADP(+)) (Gene Name=ilvC)

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