Structure of PDB 7a9h Chain AAA Binding Site BS01

Receptor Information
>7a9h Chain AAA (length=545) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GMLQQIRGPADLQHLSQAQLRELAAEIREFLIHKVAATGGHLGPNLGVVE
LTLALHRVFDSPHDPIIFDTGHQAYVHKMLTGRSQDFATLRKKGGLSGYP
SRAESEHDWVESSHASAALSYADGLAKAFELTGHRNRHVVAVVGDGALTG
GMCWEALNNIAASRRPVIIVVNDNGRSGGGPQLLFTDLGLKYVGPVDGHD
ERAVEVALRSARRFGAPVIVHVVTRKGMGYPPAEPGWTATFSDALIGYAQ
KRRDIVAITAAMPGPTGLTAFGQRFPDRLFDVGIAEQHAMTSAAGLAMGG
LHPVVAIYSTFLNRAFDQIMMDVALHKLPVTMVLDRAGITGSDGASHNGM
WDLSMLGIVPGIRVAAPRDATRLREELGEALDVDDGPTALRFPKGDVGED
ISALERRGGVDVLAAPADGLNHDVLLVAIGAFAPMALAVAKRLHNQGIGV
TVIDPRWVLPVSDGVRELAVQHKLLVTLEDNGVNGGAGSAVSAALRRAEI
DVPCRDVGLPQEFYEHASRSEVLADLGLTDQDVARRITGWVAALG
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 chain7a9h Chain AAA Residue 701 [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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PDB7a9h First crystal structures of 1-deoxy-D-xylulose 5-phosphate synthase (DXPS) from Mycobacterium tuberculosis indicate a distinct mechanism of intermediate stabilization.
Resolution1.849 Å
Binding residue
(original residue number in PDB)		D172 N201
Binding residue
(residue number reindexed from 1)		D145 N174
Annotation score1
Enzymatic activity
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:7a9h, PDBe:7a9h, PDBj:7a9h
PDBsum7a9h
PubMed35508530
UniProtP9WNS3|DXS_MYCTU 1-deoxy-D-xylulose-5-phosphate synthase (Gene Name=dxs)

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