Structure of PDB 7wwb Chain B Binding Site BS01

Receptor Information
>7wwb Chain B (length=333) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLEDRSCTDIPWLLLFILFCIGMGFICGFSIATVLSMILMVIIRYISRVL
VWILTILFLIMLVMRKRVALTIALFHVAGKVFIHLPLLVFQPFWTFFALV
LFWVYWIMTLLFLMWWYHVVGLIWISEFILACQQMTVAGAVVTYYFTRDK
RNLPFTPILASVNRLIRYHLGTVAKGSFIITLVKIPRMILMYIHSQLCVL
KSCICCLWCLEKCLNYLNQNAYTATAINSTNFCTSAKDAFVILVENALRV
ATINTVGDFMLFLGKVLIVCSTGLAGIMLLPLIIVCLFAFLVAHCFLSIY
EMVVDVLFLCFAIDTKYNDGSPGREFYMDKVLM
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 chain7wwb Chain B Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7wwb Rational exploration of fold atlas for human solute carrier proteins.
Resolution3.86 Å
Binding residue
(original residue number in PDB)		N533 E591
Binding residue
(residue number reindexed from 1)		N254 E301
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015220 choline transmembrane transporter activity
GO:0015297 antiporter activity
GO:0022857 transmembrane transporter activity
GO:0034228 ethanolamine transmembrane transporter activity
Biological Process
GO:0006656 phosphatidylcholine biosynthetic process
GO:0015871 choline transport
GO:0034229 ethanolamine transport
GO:0042426 choline catabolic process
GO:0055085 transmembrane transport
GO:0150104 transport across blood-brain barrier
Cellular Component
GO:0005654 nucleoplasm
GO:0005739 mitochondrion
GO:0005741 mitochondrial outer membrane
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7wwb, PDBe:7wwb, PDBj:7wwb
PDBsum7wwb
PubMed35700727
UniProtQ8WWI5|CTL1_HUMAN Choline transporter-like protein 1 (Gene Name=SLC44A1)

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