Structure of PDB 6pbj Chain A Binding Site BS02

Receptor Information
>6pbj Chain A (length=444) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAMNWTVDIPIDQLPSLPPLPTDLRTRLDAALAKPAAQQPTWPADQALAM
RTVLESVPPVTVPSEIVRLQEQLAQVAKGEAFLLQGGDCAETFMDNTEPH
IRGNVRALLQMAVVLTYGASMPVVKVARIAGQYAKPRSADIDALGLRSYR
GDMINGFAPDAAAREHDPSRLVRAYANASAAMNLVRALTSSPLASLHLVH
DWNREFVRTSPAGARYEALATEIDRGLRFMSACGVADRNLQTAEIYASHE
ALVLDYERAMLRLSDGEPQLFDLSAHTVWIGERTRQIDGAHIAFAQVIAN
PVGVKLGPNMTPELAVEYVERLDPHNKPGRLTLVSRMGNHKVRDLLPPIV
EKVQATGHQVIWQCDPMHGNTRHFDRIVDEVQGFFEVHRALGTHPGGIHV
EITGENVTECLGGAQDISETACDPRLNTQQSLELAFLVAEMLRD
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain6pbj Chain A Residue 505 [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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PDB6pbj A single amino acid substitution uncouples catalysis and allostery in an essential biosynthetic enzyme in Mycobacterium tuberculosis .
Resolution1.9 Å
Binding residue
(original residue number in PDB)		C87 H369 E411 D441
Binding residue
(residue number reindexed from 1)		C89 H368 E401 D423
Annotation score1
Enzymatic activity
Enzyme Commision number 2.5.1.54: 3-deoxy-7-phosphoheptulonate synthase.
Gene Ontology
Molecular Function
GO:0003849 3-deoxy-7-phosphoheptulonate synthase activity
GO:0005515 protein binding
GO:0016740 transferase activity
GO:0030145 manganese ion binding
GO:0046872 metal ion binding
Biological Process
GO:0008652 amino acid biosynthetic process
GO:0009073 aromatic amino acid family biosynthetic process
GO:0009423 chorismate biosynthetic process
GO:0051260 protein homooligomerization
Cellular Component
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0009274 peptidoglycan-based cell wall

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6pbj, PDBe:6pbj, PDBj:6pbj
PDBsum6pbj
PubMed32217694
UniProtO53512|AROG_MYCTU Phospho-2-dehydro-3-deoxyheptonate aldolase AroG (Gene Name=aroG)

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