Structure of PDB 3rzi Chain A Binding Site BS01

Receptor Information
>3rzi Chain A (length=453) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NWTVDIPIDQPPLPTDLRTRLDAALAKPAAQQPTWPADQALAMRTVLESV
PPVTVPSEIVRLQEQLAQVAKGEAFLLQGGDCAETFMDNTEPHIRGNVRA
LLQMAVVLTYGASMPVVKVARIAGQYAKPRSADIDALGLRSYRGDMINGF
APDAAAREHDPSRLVRAYANASAAMNLVRALTSSGLASLHLVHDWNREFV
RTSPAGARYEALATEIDRGLRFMSACGVADRNLQTAEIYASHEALVLDYE
RAMLRLSDGPQLFDLSAHTVWIGERTRQIDGAHIAFAQVIANPVGVKLGP
NMTPELAVEYVERLDPHNKPGRLTLVSRMGNHKVRDLLPPIVEKVQATGH
QVIWQCDPMHGNTHESSTGFKTRHFDRIVDEVQGFFEVHRALGTHPGGIH
VEITGENVTECLGGAQDISETDLAGRYETACDPRLNTQQSLELAFLVAEM
LRD
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 chain3rzi Chain A Residue 463 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3rzi Dynamic cross-talk among remote binding sites: the molecular basis for unusual synergistic allostery.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		C87 H369 E411 D441
Binding residue
(residue number reindexed from 1)		C82 H360 E402 D432
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3rzi, PDBe:3rzi, PDBj:3rzi
PDBsum3rzi
PubMed22154807
UniProtO53512|AROG_MYCTU Phospho-2-dehydro-3-deoxyheptonate aldolase AroG (Gene Name=aroG)

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