Structure of PDB 6j7q Chain A Binding Site BS04

Receptor Information
>6j7q Chain A (length=290) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPYSSPPTNLRSLRDRLTQVAERQGVVFGRLQRHVAMIVVAQFAATLTDD
TGAPLLLVKGGSSLELRRGIPDSRTAKDFDTVARRDIELIHEQLADAGET
GWEGFTAIFTAPEEIDVPGMPVKPRRFTAKLSYRGRAFATVPIEVSSVEA
GNADQFDTLTSDALGLVGVPAAVAVPCMTIPWQIAQKLHAVTAVLEEPKV
NDRAHDLVDLQLLEGLLLDADLMPTRSACIAIFEARAQHPWPPRVATLPH
WPLIYAGALEGLDHLELARTVDAAAQAVQRFVARIDRATK
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 chain6j7q Chain A Residue 314 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6j7q Characterization of a toxin-antitoxin system in Mycobacterium tuberculosis suggests neutralization by phosphorylation as the antitoxicity mechanism.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		E216 L219 L220 R286
Binding residue
(residue number reindexed from 1)		E214 L217 L218 R284
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:6j7q, PDBe:6j7q, PDBj:6j7q
PDBsum6j7q
PubMed32382148
UniProtP96356

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