Structure of PDB 8v9i Chain A Binding Site BS02

Receptor Information
>8v9i Chain A (length=595) Species: 1299 (Deinococcus radiodurans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDTPLLDQIHGPKDLKRLSREQLPALTEELRGEIVRVCSRGGLHLASSLG
AVDIITALHYVLDSPRDRILFDVGHQAYAHKILTGRRDQMADIKKEGGIS
GFTKVSESEHDAITVGHASTSLANALGMALARDAQGKDFHVAAVIGDGSL
TGGMALAALNTIGDMGRKMLIVLNDNEMSISENVGAMNKFMRGLQVQKWF
QAVEAVSKPSVNPFAAMGVRYVGPVDGHNVQELVWLLERLVDLDGPTILH
IVTTKGKGLSYAEADPIYWHGPAKFDPATGEYVPSSAYSWSAAFGEAVTE
WAKTDPRTFVVTPAMREGSGLVEFSRVHPHRYLDVGIAEEVAVTTAAGMA
LQGMRPVVAIYSTFLQRAYDQVLHDVAIEHLNVTFCIDRAGIVGADGATH
NGVFDLSFLRSIPGVRIGLPKDAAELRGMLKYAQTHDGPFAIRYPRGNTA
QVPAGTWPDLKWGEWERLKGGDDVVILAGGKALDYALKAAEDLPGVGVVN
ARFVKPLDEEMLREVGGRARALITVEDNTVVGGFGGAVLEALNSMNLHPT
VRVLGIPDEFQEHATAESVHARAGIDAPAIRTVLAELGVDVPIEV
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 chain8v9i Chain A Residue 702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8v9i Potent Inhibition of E. coli DXP Synthase by a gem -Diaryl Bisubstrate Analog.
Resolution1.981 Å
Binding residue
(original residue number in PDB)		D154 N183 M185
Binding residue
(residue number reindexed from 1)		D147 N176 M178
Annotation score1
Enzymatic activity
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:0030976 thiamine pyrophosphate binding
GO:0046872 metal ion binding
Biological Process
GO:0008299 isoprenoid biosynthetic process
GO:0009228 thiamine biosynthetic process
GO:0016114 terpenoid biosynthetic process
GO:0019288 isopentenyl diphosphate biosynthetic process, methylerythritol 4-phosphate pathway
GO:0052865 1-deoxy-D-xylulose 5-phosphate biosynthetic 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:8v9i, PDBe:8v9i, PDBj:8v9i
PDBsum8v9i
PubMed38513073
UniProtQ9RUB5|DXS_DEIRA 1-deoxy-D-xylulose-5-phosphate synthase (Gene Name=dxs)

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