Structure of PDB 8ogh Chain B Binding Site BS02

Receptor Information
>8ogh Chain B (length=548) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MGMLQQIRGPADLQHLSQAQLRELAAEIREFLIHKVAATGGHLGPNLGVV
ELTLALHRVFDSPHDPIIFDTGHQAYVHKMLTGRSQDFATLRKKGGLSGY
PSRAESEHDWVESSHASAALSYADGLAKAFELTGHRNRHVVAVVGDGALT
GGMCWEALNNIAASRRPVIIVVNDNGRSYGGGPQLLFTDLGLKYVGPVDG
HDERAVEVALRSARRFGAPVIVHVVTRKGMGYPPAEPGWTATFSDALIGY
AQKRRDIVAITAAMPGPTGLTAFGQRFPDRLFDVGIAEQHAMTSAAGLAM
GGLHPVVAIYSTFLNRAFDQIMMDVALHKLPVTMVLDRAGITGSDGASHN
GMWDLSMLGIVPGIRVAAPRDATRLREELGEALDVDDGPTALRFPKGDVG
EDISALERRGGVDVLAAPADGLNHDVLLVAIGAFAPMALAVAKRLHNQGI
GVTVIDPRWVLPVSDGVRELAVQHKLLVTLEDNGVNGGAGSAVSAALRRA
EIDVPCRDVGLPQEFYEHASRSEVLADLGLTDQDVARRITGWVAALGT
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 chain8ogh Chain B Residue 706 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ogh Structure of Mycobacterium tuberculosis 1-Deoxy-D-Xylulose 5-Phosphate Synthase in Complex with Butylacetylphosphonate
Resolution1.6 Å
Binding residue
(original residue number in PDB)		D144 N173
Binding residue
(residue number reindexed from 1)		D146 N175
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:8ogh, PDBe:8ogh, PDBj:8ogh
PDBsum8ogh
PubMed
UniProtP9WNS3|DXS_MYCTU 1-deoxy-D-xylulose-5-phosphate synthase (Gene Name=dxs)

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