Structure of PDB 8w6o Chain A Binding Site BS03

Receptor Information
>8w6o Chain A (length=448) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RRFLFVVFTVLVLLPLPIVLHTKEAECAYTLFVVATFWLTEALPLSVTAL
LPSLMLPMFGIMPKDFHLLLIGVICLATSIEKWNLHKRIALKMVMMVGVN
PAWLTLGFMSSTAFLSMWLSNTSTAAMVMPIAEAVVQQIIKGHVTRKLTC
LCIAYSSTIGGLTTITGTSTNLIFAEYFNTRYPDCRCLNFGSWFTFSFPA
ALIILLLSWIWLQWLFLGAEVIKQEYQKLGPIRYQEIVTLVLFIIMALLW
FSFATDSTVALLIGLLFFLIPAKTLTFDYSPLITWKEFQSFMPWDIAILV
GGGFALADGCEESGLSKWIGNKLSPLGSLPAWLIILISSLMVTSLTEVAS
NPATITLFLPILSPLAEAIHVNPLYILIPSTLCTSFAFLLPVANPPNAIV
FSYGHLKVIDMVKAGLGVNIVGVAVVMLGICTWIVPMFDLYTYPSWAP
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 A 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)		I458 L462 G466 I500 A507
Binding residue
(residue number reindexed from 1)		I319 L323 G327 I361 A368
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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