Structure of PDB 4doj Chain C Binding Site BS01

Receptor Information
>4doj Chain C (length=507) Species: 1718 (Corynebacterium glutamicum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLNWSVIVPALVIVLATVVWGIGFKDSFTNFASSALSAVVDNLGWAFILF
GTVFVFFIVVIAASKFGTIRLGRIDEAPEFRTVSWISMMFAAGMGIDLMF
YGTTEPLTFYRNGVPGHDEHNVGVAMSTTMFHWTLHPWAIYAIVGLAIAY
STFRVGRKQLLSSAFVPLIGEKGAEGWLGKLIDILAIIATVFGTACSLGL
GALQIGAGLSAANIDPSDWTIVGIVSVLTLAFIFSAISKGIQYLSNANMV
LAALLAIFVFVVGPTVSILNLLPGSIGNYLSNFFQMAGRTAMSADGTAGE
WLGSWTIFYWAWWISWSPFVGMFLARISRGRSIREFILGVLLVPAGVSTV
WFSIFGGTAIVFEQNGESIWGDGAAEEQLFGLLHALPGGQIMGIIAMILL
GTFFITSADSASTVMGTMSQHGQLEANKWVTAAWGVATAAIGLTLLLSGG
DNALSNLQNVTIVAATPFLFVVIGLMFALVKDLSNDVIYLEYREQQRFNA
RLARERR
Ligand information
Ligand IDCHT
InChIInChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
InChIKeyOEYIOHPDSNJKLS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		C[N+](C)(C)CCO
ACDLabs 10.04OCC[N+](C)(C)C
FormulaC5 H14 N O
NameCHOLINE ION
ChEMBLCHEMBL920
DrugBankDB00122
ZINCZINC000003079337
PDB chain4doj Chain C Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4doj Alternating-access mechanism in conformationally asymmetric trimers of the betaine transporter BetP.
Resolution3.25 Å
Binding residue
(original residue number in PDB)		A148 M150 D153 W377 F380
Binding residue
(residue number reindexed from 1)		A92 M94 D97 W316 F319
Annotation score4
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:4doj, PDBe:4doj, PDBj:4doj
PDBsum4doj
PubMed22940865
UniProtP54582|BETP_CORGL Glycine betaine transporter BetP (Gene Name=betP)

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