Structure of PDB 4ain Chain B Binding Site BS01

Receptor Information
>4ain Chain B (length=497) Species: 1718 (Corynebacterium glutamicum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASLNWSVIVPALVIVLATVVWGIGFKDSFTNFASSALSAVVDNLGWAFIL
FGTVFVFFIVVIAASKFGTIRLGREFRTVSWISMMFAAGMGIGLMFYGTT
EPLTFYRNGVPGHDEHNVGVAMSTTMFHWTLHPWAIYAIVGLAIAYSTFR
VGRKQLLSSAFVPLIGEKGAEGWLGKLIDILAIIATVFGTACSLGLGALQ
IGAGLSAANIIEDPSDWTIVGIVSVLTLAFIFSAISGVGKGIQYLSNANM
VLAALLAIFVFVVGPTVSILNLLPGSIGNYLSNFFQMAGRTAMSADGTAG
EWLGSWTIFYWAWWISWSPFVGMFLARISRGRSIREFILGVLLVPAGVST
VWFSIFGGTAIVFEQNGESIWGDGAAEEQLFGLLHALPGGQIMGIIAMIL
LGTFFITSADSASTVMGTMSQHGQLEANKWVTAAWGVATAAIGLTLLLSG
GDNALSNLQNVTIVAATPFLFVVIGLMFALVKDLSNDVIYLEYREQQ
Ligand information
Ligand IDNA
InChIInChI=1S/Na/q+1
InChIKeyFKNQFGJONOIPTF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Na+]
FormulaNa
NameSODIUM ION
ChEMBL
DrugBankDB14516
ZINC
PDB chain4ain Chain B Residue 1558 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ain Alternating-Access Mechanism in Conformationally Asymmetric Trimers of the Betaine Transporter Betp.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		A147 M150 G151 F464 T467 S468
Binding residue
(residue number reindexed from 1)		A87 M90 G91 F404 T407 S408
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015293 symporter activity
GO:0022857 transmembrane transporter activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0055085 transmembrane transport
GO:0071705 nitrogen compound transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4ain, PDBe:4ain, PDBj:4ain
PDBsum4ain
PubMed22940865
UniProtP54582|BETP_CORGL Glycine betaine transporter BetP (Gene Name=betP)

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