Structure of PDB 7wwb Chain B Binding Site BS02

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 IDCLR
InChIInChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyHVYWMOMLDIMFJA-DPAQBDIFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
CACTVS 3.341CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
ACDLabs 10.04OC4CCC3(C(=CCC2C1C(C(C(C)CCCC(C)C)CC1)(C)CCC23)C4)C
OpenEye OEToolkits 1.5.0CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
CACTVS 3.341CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
FormulaC27 H46 O
NameCHOLESTEROL
ChEMBLCHEMBL112570
DrugBankDB04540
ZINCZINC000003875383
PDB chain7wwb Chain B Residue 702 [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)		W340 C402 I436
Binding residue
(residue number reindexed from 1)		W94 C132 I166
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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