Structure of PDB 2o1s Chain D Binding Site BS01

Receptor Information
>2o1s Chain D (length=487) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PTLALVDSTQELRLLPKESLPKLCDELRRYLLDGLGTVELTVALHYVYNT
PFDQLIWDVGHQAYPHKILTGSEYDVLSVGHSSTSISAGIGIAVAAEKEG
KNRRTVCVIGDGAITAGMAFEAMNHAGDIRPDMLVILNDNTLFEELGFNY
IGPVDGHDVLGLITTLKNMRDLKGPQFLHIMTKLPSYSKIFGDWLCETAA
KDNKLMAITPAMREGSGMVEFSRKFPDRYFDVAIAEQHAVTFAAGLAIGG
YKPIVAIYSTFLQRAYDQVLHDVAIQKLPVLFAIDRAGIVGADGQTHQGA
FDLSYLRCIPEMVIMTPSDENECRQMLYTGYHYNDGPSAVRYPRGNAVGV
ELTPLEKLPIGKGIVKRRGEKLAILNFGTLMPEAAKVAESLNATLVDMRF
VKPLDEALILEMAASHEALVTVEENAIMGGAGSGVNEVLMAHRKPVPVLN
IGLPDFFIPQGTQEEMRAELGLDAAGMEAKIKAWLAL
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 chain2o1s Chain D Residue 1004 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2o1s Crystal Structure of 1-Deoxy-D-xylulose 5-Phosphate Synthase, a Crucial Enzyme for Isoprenoids Biosynthesis.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		D152 N181
Binding residue
(residue number reindexed from 1)		D111 N140
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E370 R398 H431
Catalytic site (residue number reindexed from 1) E236 R264 H297
Enzyme Commision number 2.2.1.7: 1-deoxy-D-xylulose-5-phosphate synthase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0008661 1-deoxy-D-xylulose-5-phosphate synthase activity
GO:0016740 transferase activity
GO:0016744 transketolase or transaldolase activity
GO:0030976 thiamine pyrophosphate binding
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
Biological Process
GO:0006744 ubiquinone biosynthetic process
GO:0006796 phosphate-containing compound metabolic process
GO:0008299 isoprenoid biosynthetic process
GO:0008615 pyridoxine biosynthetic process
GO:0009228 thiamine biosynthetic process
GO:0016114 terpenoid biosynthetic process
GO:0019288 isopentenyl diphosphate biosynthetic process, methylerythritol 4-phosphate pathway
GO:0019637 organophosphate metabolic process
GO:0052865 1-deoxy-D-xylulose 5-phosphate biosynthetic process
GO:1901135 carbohydrate derivative metabolic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2o1s, PDBe:2o1s, PDBj:2o1s
PDBsum2o1s
PubMed17135236
UniProtP77488|DXS_ECOLI 1-deoxy-D-xylulose-5-phosphate synthase (Gene Name=dxs)

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