Structure of PDB 4m8j Chain A Binding Site BS01

Receptor Information
>4m8j Chain A (length=495) Species: 525369 (Proteus mirabilis ATCC 29906) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GIEPKVFFPPLIIVGILCWLTVRDLDASNEVINAVFSYVTNVWGWAFEWY
MVIMFGGWFWLVFGRYAKKRLGDEKPEFSTASWIFMMFASCTSAAVLFWG
SIEIYYYISSPPFGMEGYSAPAKEIGLAYSLFHWGPLPWATYSFLSVAFA
YFFFVRKMEVIRPSSTLVPLVGEKHVNGLFGTVVDNFYLVALILAMGTSL
GLATPLVTECIQYLFGIPHTLQLDAIIISCWILLNAICVAFGLQKGVKIA
SDVETYLSFLMLGWVFIVGGASFIVNYFTDSVGTLLMYMPRMLFYTDPIG
KGGFPQAWTVFYWAWWVIYAIQMSIFLARISKGRTVRELCLGMVSGLTAG
TWLIWTILGGNTLQLIDQNILNIPQLIDQYGVPRAIIETWAALPLSTATM
WGFFILCFIATVTLINACSYTLAMSTCRSMKEGADPPLLVRIGWSVLVGI
IGIILLALGGLKPIQTAIIAGGCPLFFVNIMVTLSFIKDAKVHWK
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 chain4m8j 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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PDB4m8j Arginine oscillation explains Na+ independence in the substrate/product antiporter CaiT.
Resolution3.294 Å
Binding residue
(original residue number in PDB)		W147 W323 W324
Binding residue
(residue number reindexed from 1)		W139 W315 W316
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
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: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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4m8j, PDBe:4m8j, PDBj:4m8j
PDBsum4m8j
PubMed24101465
UniProtB4EY22|CAIT_PROMH L-carnitine/gamma-butyrobetaine antiporter (Gene Name=caiT)

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