Structure of PDB 2raq Chain B Binding Site BS02

Receptor Information
>2raq Chain B (length=94) Species: 187420 (Methanothermobacter thermautotrophicus str. Delta H) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VAKGLIRIVLDILKPHEPIIPEYAKYLSELRGVEGVNITLMEIDKETENI
KVTIQGNDLDFDEITRAIESYGGSIHSVDEVVAGRTMVEEVTTP
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 chain2raq Chain B Residue 99 [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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PDB2raq Crystal structure of the MTH889 protein from Methanothermobacter thermautotrophicus.
Resolution3.11 Å
Binding residue
(original residue number in PDB)		E43 D45
Binding residue
(residue number reindexed from 1)		E42 D44
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:2raq, PDBe:2raq, PDBj:2raq
PDBsum2raq
PubMed
UniProtO26975

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