Structure of PDB 8h5e Chain A Binding Site BS01

Receptor Information
>8h5e Chain A (length=178) Species: 274 (Thermus thermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LVYSEAGPVALWLARVRWLVILILTGMVTSSILQGFESVLEAVTALAFYV
PVLLGTGGNTGNQSATLIIRALATRDLDLRDWRRVFLKEMGVGLLLGLTL
SFLLVGKVYWDGHPLLLPVVGVSLVLIVFFANLVGAMLPFLLRRLGVDPA
LVSNPLVATLSDVTGLLIYLSVARLLLE
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 chain8h5e Chain A Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8h5e Ion selectivity mechanism of the MgtE channel for Mg 2+ over Ca 2 .
Resolution2.5 Å
Binding residue
(original residue number in PDB)		E311 T314
Binding residue
(residue number reindexed from 1)		E41 T44
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008324 monoatomic cation transmembrane transporter activity
Biological Process
GO:0006812 monoatomic cation transport

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Molecular Function
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Biological Process
External links
PDB RCSB:8h5e, PDBe:8h5e, PDBj:8h5e
PDBsum8h5e
PubMed36465111
UniProtQ5SMG8|MGTE_THET8 Magnesium transporter MgtE (Gene Name=mgtE)

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