Structure of PDB 2wsx Chain B Binding Site BS01

Receptor Information
>2wsx Chain B (length=496) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TGIEPKVFFPPLIIVGILCWLTVRDLDAANVVINAVFSYVTNVWGWAFEW
YMVVMLFGWFWLVFGPYAKKRLGEEPPEFSTASWIFMMFASCTSAAVLFW
GSIEIYYYISTPPFGLEPNSTGAKELGLAYSLFHWGPLPWATYSFLSVAF
AYFFFVRKMEVIRPSSTLVPLVGEKHAKGLFGTIVDNFYLVALIFAMGTS
LGLATPLVTECMQWLFGIPHTLQLDAIIITCWIILNAICVACGLQKAVRI
ASDVRSYLSFLMLGWVFIVSGASFIMNYFTDSVGMLLMYLPRMLFYTDPI
AKGGFPQGWTVFYWAWWVIYAIQMSIFLARISRGRTVRELCFGMVLGLTA
STWILWTVLGSNTLLLIDKNILNIPNLIEQYGVARAIIETWAALPLSTAT
MWGFFILCFIATVTLVNACSYTLAMSTCREVRDGEDPPLLVRIGWSILVG
IIGIVLLALGGLKPIQTAIIAGGCPLFFVNIMVTLSFIKDAKQNWK
Ligand information
Ligand IDNM2
InChIInChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3/p+1
InChIKeyJHPNVNIEXXLNTR-UHFFFAOYSA-O
SMILES
SoftwareSMILES
CACTVS 3.352C[N+](C)(C)CCCC(O)=O
OpenEye OEToolkits 1.6.1C[N+](C)(C)CCCC(=O)O
ACDLabs 10.04O=C(O)CCC[N+](C)(C)C
FormulaC7 H16 N O2
Name3-CARBOXY-N,N,N-TRIMETHYLPROPAN-1-AMINIUM
ChEMBL
DrugBank
ZINCZINC000000395560
PDB chain2wsx Chain B Residue 1504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2wsx Structural Basis of Na(+)-Independent and Cooperative Substrate/Product Antiport in Cait.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		W142 W323 Y327
Binding residue
(residue number reindexed from 1)		W135 W316 Y320
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015226 carnitine transmembrane transporter activity
GO:0015297 antiporter activity
GO:0022857 transmembrane transporter activity
GO:0044667 (R)-carnitine:4-(trimethylammonio)butanoate antiporter activity
Biological Process
GO:0009437 carnitine metabolic process
GO:0015879 carnitine transport
GO:0071705 nitrogen compound transport
GO:1900749 (R)-carnitine transport
GO:1900751 4-(trimethylammonio)butanoate transport
GO:1902270 (R)-carnitine transmembrane transport
GO:1902603 carnitine transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
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Cellular Component
External links
PDB RCSB:2wsx, PDBe:2wsx, PDBj:2wsx
PDBsum2wsx
PubMed20829798
UniProtP31553|CAIT_ECOLI L-carnitine/gamma-butyrobetaine antiporter (Gene Name=caiT)

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