Structure of PDB 4llh Chain A Binding Site BS01

Receptor Information
>4llh Chain A (length=524) Species: 196627 (Corynebacterium glutamicum ATCC 13032) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLNWSVIVPALVIVLATVVWGIGFKDSFTNFASSALSAVVDNLGWAFILF
GTVFVFFIVVIAASKFGTIRLGRIDEAPEFRTVSWISMMFAAGMGIDLMF
YGTTEPLTFYRNGVPGHDEHNVGVAMSTTMFHWTLHPWAIYAIVGLAIAY
STFRVGRKQLLSSAFVPLIGEKGAEGWLGKLIDILAIIATVFGTACSLGL
GALQIGAGLSAAEDPSDWTIVGIVSVLTLAFIFSAISGVGKGIQYLSNAN
MVLAALLAIFVFVVGPTVSILNLLPGSIGNYLSNFFQMAGRTAMSADGTA
GEWLGSWTIFYWAWWISWSPFVGMFLARISRGRSIREFILGVLLVPAGVS
TVWFSIFGGTAIVFEQNGESIWGDGAAEEQLFGLLHALPGGQIMGIIAMI
LLGTFFITSADSASTVMGTMSQHGQLEANKWVTAAWGVATAAIGLTLLLS
GGDNALSNLQNVTIVAATPFLFVVIGLMFALVKDLSNDVIYLEYREQQRF
NARLARERRVHNEHRKRELAAKRR
Ligand information
Ligand ID1Y8
InChIInChI=1S/C5H15AsO/c1-6(2,3)4-5-7/h6-7H,4-5H2,1-3H3
InChIKeyCIHXLIBMYUSRLN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01OCC[As](C)(C)C
CACTVS 3.385
OpenEye OEToolkits 1.7.6		C[As](C)(C)CCO
FormulaC5 H14 As O
Name2-(trimethyl-lambda~5~-arsanyl)ethanol
ChEMBL
DrugBank
ZINC
PDB chain4llh Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4llh Substrate-bound outward-open state of the betaine transporter BetP provides insights into Na(+) coupling.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		M150 G151 D153 W373 W374 W377
Binding residue
(residue number reindexed from 1)		M94 G95 D97 W314 W315 W318
Annotation score1
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:4llh, PDBe:4llh, PDBj:4llh
PDBsum4llh
PubMed25023443
UniProtP54582|BETP_CORGL Glycine betaine transporter BetP (Gene Name=betP)

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