Structure of PDB 8w6c Chain A Binding Site BS03

Receptor Information
>8w6c Chain A (length=530) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MATCWQALWAYRSYLIVFFVPILLLPLPILVPSKEAYCAYAIILMALFWC
TEALPLAVTALFPLILFPMMGIVDASEVAVEYLKDSNLLFFGGLLVAIAV
EHWNLHKRIALRVLLIVGVRPAPLILGFMLVTAFLSMWISNTATSAMMVP
IAHAVLDQLHSSQAKHLHLTQCMSLCVCYSASIGGIATLTGTAPNLVLQG
QINSLFPQNGNVVNFASWFSFAFPTMVILLLLAWLWLQILFLGFNFRKNF
GIGEKMQEQQQAAYCVIQTEHRLLGPMTFAEKAISILFVILVLLWFTREP
GFFLGWGNLAFPNAKGESMVSDGTVAIFIGIIMFIIPSKFPGLTQDPENP
GKLKAPLGLLDWKTVNQKMPWNIVLLLGGGYALAKGSERSGLSEWLGNKL
TPLQSVPAPAIAIILSLLVATFTECTSNVATTTIFLPILASMAQAICLHP
LYVMLPCTLATSLAFMLPVATPPNAIVFSFGDLKVLDMARAGFLLNIIGV
LVIALAINSWGIPLFSLHSFPSWAQSNTTA
Ligand information
Ligand IDY01
InChIInChI=1S/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1
InChIKeyWLNARFZDISHUGS-MIXBDBMTSA-N
SMILES
SoftwareSMILES
CACTVS 3.352CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCC(O)=O
OpenEye OEToolkits 1.6.1CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C
OpenEye OEToolkits 1.6.1CC(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)OC(=O)CCC(=O)O)C)C
CACTVS 3.352CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)OC(=O)CCC(O)=O
FormulaC31 H50 O4
NameCHOLESTEROL HEMISUCCINATE
ChEMBL
DrugBank
ZINCZINC000058638837
PDB chain8w6c Chain A Residue 803 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8w6c Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		Y37 Y40 I65 M69
Binding residue
(residue number reindexed from 1)		Y37 Y40 I65 M69
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0015138 fumarate transmembrane transporter activity
GO:0015139 alpha-ketoglutarate transmembrane transporter activity
GO:0015141 succinate transmembrane transporter activity
GO:0015293 symporter activity
GO:0015361 low-affinity sodium:dicarboxylate symporter activity
GO:0015370 solute:sodium symporter activity
GO:0017153 sodium:dicarboxylate symporter activity
GO:0022857 transmembrane transporter activity
Biological Process
GO:0006814 sodium ion transport
GO:0015741 fumarate transport
GO:0015742 alpha-ketoglutarate transport
GO:0035725 sodium ion transmembrane transport
GO:0055085 transmembrane transport
GO:0071285 cellular response to lithium ion
GO:0071422 succinate transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0016324 apical plasma 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:8w6c, PDBe:8w6c, PDBj:8w6c
PDBsum8w6c
PubMed38552027
UniProtQ13183|S13A2_HUMAN Solute carrier family 13 member 2 (Gene Name=SLC13A2)

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