Structure of PDB 4xz6 Chain A Binding Site BS02

Receptor Information
>4xz6 Chain A (length=291) Species: 246200 (Ruegeria pomeroyi DSS-3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DSSDPIVIPIHNWSSQIVMSNVVGQIFEEMGVAVEFVTTDSQAVYESVRL
GDVTLELEVWEGAFGASFRAALEKGGIVDVGDHDAVTREDWWYPMWTKDA
CPGLPDWKALNDCAAVFATAETGDKGRYLDGPVDWLKHGKERVEALGMNF
EVINAGSAAALWAEIGAAEADKRPVVVFNWTPNFAEAVWPGEFVEFPEWV
DGCDKDPAVGPNPDALYDCGNPATGYLKKAAWEGMEAKWPDAYAVLTRIS
FTNPQIAEMAKLVDVDEMEPDEAAEAWLEANEDVWRPWLDG
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 chain4xz6 Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4xz6 Mechanistic Insight into Trimethylamine N-Oxide Recognition by the Marine Bacterium Ruegeria pomeroyi DSS-3
Resolution2.2 Å
Binding residue
(original residue number in PDB)		P249 V251 N254 A257 D260
Binding residue
(residue number reindexed from 1)		P207 V209 N212 A215 D218
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0022857 transmembrane transporter activity
Biological Process
GO:0055085 transmembrane transport
Cellular Component
GO:0043190 ATP-binding cassette (ABC) transporter complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4xz6, PDBe:4xz6, PDBj:4xz6
PDBsum4xz6
PubMed26283766
UniProtQ5LT66|TMOX_RUEPO Trimethylamine N-oxide-binding protein (Gene Name=tmoX)

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