Structure of PDB 8hez Chain A Binding Site BS02

Receptor Information
>8hez Chain A (length=582) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DNPADILVIAAYFLLVIGVGLWSMCRTNRGTVGGYFLAGRSMVWWPVGAS
LFASNIGSGHFVGLAGTGAASGLAVAGFEWNALFVVLLLGWLFAPVYLTA
GVITMPQYLRKRFGGRRIRLYLSVLSLFLYIFTKISVDMFSGAVFIQQAL
GWNIYASVIALLGITMIYTVTGGLAALMYTDTVQTFVILGGACILMGYAF
HEVGGYSGLFDKYLGAATSLTVSEDPAVGNISSFCYRPRPDSYHLLRHPV
TGDLPWPALLLGLTIVSGWYWCSDQVIVQRCLAGKSLTHIKAGCILCGYL
KLTPMFLMVMPGMISRILYPDEVACVVPEVCRRVCGTEVGCSNIAYPRLV
VKLMPNGLRGLMLAVMLAALMSSLASIFNSSSTLFTMDIYTRLRPRAGDR
ELLLVGRLWVVFIVVVSVAWLPVVQAAQGGQLFDYIQAVSSYLAPPVSAV
FVLALFVPRVNEQGAFWGLIGGLLMGLARLIPEFSFGSGSCVQPSACPAF
LCGVHYLYFAIVLFFCSGLLTLTVSLCTAPIPRKHLHRLVFSLRHSKEEL
EDISEDPSWARVVNLNALLMMAVAVFLWGFYA
Ligand information
Ligand IDLE6
InChIInChI=1S/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1
InChIKeyJVHXJTBJCFBINQ-ADAARDCZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCOc1ccc(cc1)Cc2cc(ccc2Cl)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
CACTVS 3.385CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc1
CACTVS 3.385CCOc1ccc(Cc2cc(ccc2Cl)[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)cc1
OpenEye OEToolkits 2.0.7CCOc1ccc(cc1)Cc2cc(ccc2Cl)C3C(C(C(C(O3)CO)O)O)O
FormulaC21 H25 Cl O6
Name(2S,3R,4R,5S,6R)-2-[4-chloranyl-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;
Dapagliflozin
ChEMBLCHEMBL429910
DrugBankDB06292
ZINCZINC000003819138
PDB chain8hez Chain A Residue 802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8hez Structural basis of glucose transport by the human SGLT2-MAP17 glucose transporter
Resolution2.8 Å
Binding residue
(original residue number in PDB)		N75 G79 H80 G83 L84 T87 F98 E99 V286 S287 W291 K321 F453 Q457
Binding residue
(residue number reindexed from 1)		N55 G59 H60 G63 L64 T67 F78 E79 V266 S267 W271 K301 F433 Q437
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005362 low-affinity D-glucose:sodium symporter activity
GO:0005412 D-glucose:sodium symporter activity
GO:0005515 protein binding
GO:0015151 alpha-glucoside transmembrane transporter activity
GO:0015293 symporter activity
GO:0015370 solute:sodium symporter activity
GO:0022857 transmembrane transporter activity
GO:0055056 D-glucose transmembrane transporter activity
Biological Process
GO:0000017 alpha-glucoside transport
GO:0005975 carbohydrate metabolic process
GO:0006814 sodium ion transport
GO:0008645 hexose transmembrane transport
GO:0035623 renal D-glucose absorption
GO:0055085 transmembrane transport
GO:0098708 D-glucose import across plasma membrane
GO:0098719 sodium ion import across plasma membrane
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:8hez, PDBe:8hez, PDBj:8hez
PDBsum8hez
PubMed38057552
UniProtP31639|SC5A2_HUMAN Sodium/glucose cotransporter 2 (Gene Name=SLC5A2)

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