Structure of PDB 5ed4 Chain A Binding Site BS03

Receptor Information
>5ed4 Chain A (length=222) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPEARVLVVDDEANIVELLSVSLKFQGFEVYTATNGAQALDRARETRPDA
VILDVMMPGMDGFGVLRRLRADGIDAPALFLTARDSLQDKIAGLTLGGDD
YVTKPFSLEEVVARLRVILRRAGVRLTFADIELDEETHEVWKAGQPVSLS
PTEFTLLRYFVINAGTVLSKPKILDHVWRYDFGGDVNVVESYVSYLRRKI
DTGEKRLLHTLRGVGYVLREPR
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain5ed4 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ed4 Structural basis of DNA sequence recognition by the response regulator PhoP in Mycobacterium tuberculosis.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		D28 D71 M73
Binding residue
(residue number reindexed from 1)		D11 D54 M56
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.1: alkaline phosphatase.
Gene Ontology
Molecular Function
GO:0000156 phosphorelay response regulator activity
GO:0000976 transcription cis-regulatory region binding
GO:0003677 DNA binding
GO:0005515 protein binding
GO:0046872 metal ion binding
Biological Process
GO:0000160 phosphorelay signal transduction system
GO:0006355 regulation of DNA-templated transcription
GO:0006979 response to oxidative stress
GO:0009247 glycolipid biosynthetic process
GO:0010628 positive regulation of gene expression
GO:0044315 protein secretion by the type VII secretion system
GO:0045892 negative regulation of DNA-templated transcription
GO:0045893 positive regulation of DNA-templated transcription
GO:0046889 positive regulation of lipid biosynthetic process
Cellular Component
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0032993 protein-DNA complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5ed4, PDBe:5ed4, PDBj:5ed4
PDBsum5ed4
PubMed27079268
UniProtP71814

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