Structure of PDB 8w6o Chain B Binding Site BS03

Receptor Information
>8w6o Chain B (length=459) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RRFLFVVFTVLVLLPLPIVLHTKEAECAYTLFVVATFWLTEALPLSVTAL
LPSLMLPMFGIMPFKDFHLLLIGVICLATSIEKWNLHKRIALKMVMMVGV
NPAWLTLGFMSSTAFLSMWLSNTSTAAMVMPIAEAVVQQIINAKGHVTRK
LTCLCIAYSSTIGGLTTITGTSTNLIFAEYFNTRYPDCRCLNFGSWFTFS
FPAALIILLLSWIWLQWLFLGAEVIKQEYQKLGPIRYQEIVTLVLFIIMA
LLWFSRFSEYPGFATDSTVALLIGLLFFLIPAKTLTKFDYSPLITWKEFQ
SFMPWDIAILVGGGFALADGCEESGLSKWIGNKLSPLGSLPAWLIILISS
LMVTSLTEVASNPATITLFLPILSPLAEAIHVNPLYILIPSTLCTSFAFL
LPVANPPNAIVFSYGHLKVIDMVKAGLGVNIVGVAVVMLGICTWIVPMFD
LYTYPSWAP
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 chain8w6o Chain B Residue 703 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8w6o Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		G459 I500 A507
Binding residue
(residue number reindexed from 1)		G331 I372 A379
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008271 secondary active sulfate transmembrane transporter activity
GO:0015293 symporter activity
GO:0015370 solute:sodium symporter activity
GO:0015373 monoatomic anion:sodium symporter activity
GO:0015382 sodium:sulfate symporter activity
GO:0022857 transmembrane transporter activity
Biological Process
GO:0006814 sodium ion transport
GO:0035725 sodium ion transmembrane transport
GO:0055085 transmembrane transport
GO:0098656 monoatomic anion transmembrane transport
GO:1902358 sulfate transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0016324 apical plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8w6o, PDBe:8w6o, PDBj:8w6o
PDBsum8w6o
PubMed38552027
UniProtQ9BZW2|S13A1_HUMAN Solute carrier family 13 member 1 (Gene Name=SLC13A1)

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