Structure of PDB 6xxg Chain BBB Binding Site BS04

Receptor Information
>6xxg Chain BBB (length=539) Species: 243230 (Deinococcus radiodurans R1 = ATCC 13939 = DSM 20539) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NELPGTSDTPLLDQIHGPKDLKRLSREQLPALTEELRGEIVRVCSRGGLH
LASSLGAVDIITALHYVLDSPRDRILFDVGHQAYAHKILTGRRDQMADIK
KEGGISGFTKVSESEHDAITVGHASTSLANALGMALARDAQGKDFHVAAV
IGDGSLTGGMALAALNTIGDMGRKMLIVLNDNEMNPFAAMGVRYVGPVDG
HNVQELVWLLERLVDLDGPTILHIVTTKGKGSAYSWSAAFGEAVTEWAKT
DPRTFVVTPAMREGSGLVEFSRVHPHRYLDVGIAEEVAVTTAAGMALQGM
RPVVAIYSTFLQRAYDQVLHDVAIEHLNVTFCIDRAGIVGADGATHNGVF
DLSFLRSIPGVRIGLPKDAAELRGMLKYAQTHDGPFAIRYPRGNTAQVPA
GTWPDLKWGEWERLKGGDDVVILAGGKALDYALKAAEDLPGVGVVNARFV
KPLDEEMLREVGGRARALITVEDNTVVGGFGGAVLEALNSMNLHPTVRVL
GIPDEFQEHATAESVHARAGIDAPAIRTVLAELGVDVPI
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 chain6xxg Chain BBB Residue 704 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6xxg Identification of a 1-deoxy-D-xylulose-5-phosphate synthase (DXS) mutant with improved crystallographic properties.
Resolution2.099 Å
Binding residue
(original residue number in PDB)		G6 D9
Binding residue
(residue number reindexed from 1)		G5 D8
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K289 E373 R401
Catalytic site (residue number reindexed from 1) K228 E285 R313
Enzyme Commision number 2.2.1.7: 1-deoxy-D-xylulose-5-phosphate synthase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008661 1-deoxy-D-xylulose-5-phosphate synthase activity
Biological Process
GO:0016114 terpenoid biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:6xxg, PDBe:6xxg, PDBj:6xxg
PDBsum6xxg
PubMed33421767
UniProtQ9RUB5|DXS_DEIRA 1-deoxy-D-xylulose-5-phosphate synthase (Gene Name=dxs)

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