Structure of PDB 7aar Chain A Binding Site BS03
Receptor Information
>7aar Chain A (length=485) Species:
3702
(Arabidopsis thaliana) [
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SYEGGVTAFVIMTCIVAAMGGLLFGYDLGISGGVTSMEEFLTKFFPQVES
QMKKAKHDTAYCKFDNQMLQLFTSSLYLAALVASFMASVITRKHGRKVSM
FIGGLAFLIGALFNAFAVNVSMLIIGRLLLGVGVGFANQSTPVYLSQMAP
AKIRGALNIGFQMAITIGILVANLINYGTSKMAQHGWRVSLGLAAVPAVV
MVIGSFILPDTPNSMLERGKNEEAKQMLKKIRGADNVDHEFQDLIDAVEA
AKKVENPWKNIMESKYRPALIFCSAIPFFQQITGINVIMFYAPVLFKTLG
FGDDAALMSAVITGVVNMLSTFVSIYAVNRYGRRLLFLEGGIQMFICQLL
VGSFIGARFGTSGTGTLTPATADWILAFICVYVAGFAWSWGPLGWLVPSE
ICPLEIRPAGQAINVSVNMFFTFLIGQFFLTMLCHMKFGLFYFFASMVAI
MTVFIYFLLPETKGVPIEEMGRVWKQHWFWKKYIP
Ligand information
Ligand ID
37X
InChI
InChI=1S/C27H52O12/c1-3-5-7-9-11-27(12-10-8-6-4-2,15-36-25-23(34)21(32)19(30)17(13-28)38-25)16-37-26-24(35)22(33)20(31)18(14-29)39-26/h17-26,28-35H,3-16H2,1-2H3/t17-,18-,19-,20-,21+,22+,23-,24-,25-,26-/m0/s1
InChIKey
TYXCLOLHZMMLEK-RNDJEAJNSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.9.2
CCCCCCC(CCCCCC)(COC1C(C(C(C(O1)CO)O)O)O)COC2C(C(C(C(O2)CO)O)O)O
ACDLabs 12.01
O(CC(CCCCCC)(CCCCCC)COC1OC(CO)C(O)C(O)C1O)C2OC(C(O)C(O)C2O)CO
OpenEye OEToolkits 1.9.2
CCCCCCC(CCCCCC)(CO[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)CO[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O
CACTVS 3.385
CCCCCCC(CCCCCC)(CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)CO[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O
CACTVS 3.385
CCCCCCC(CCCCCC)(CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)CO[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O
Formula
C27 H52 O12
Name
Octyl Glucose Neopentyl Glycol
ChEMBL
DrugBank
ZINC
ZINC000098208404
PDB chain
7aar Chain A Residue 603 [
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Receptor-Ligand Complex Structure
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PDB
7aar
Molecular mechanism of sugar transport in plants unveiled by structures of glucose/H + symporter STP10.
Resolution
2.64 Å
Binding residue
(original residue number in PDB)
L43 N153 P157 N173 F176 Q177 I180 G406 P407 W410 M434
Binding residue
(residue number reindexed from 1)
L28 N138 P142 N158 F161 Q162 I165 G391 P392 W395 M419
Annotation score
1
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0005354
galactose transmembrane transporter activity
GO:0009679
hexose:proton symporter activity
GO:0015144
carbohydrate transmembrane transporter activity
GO:0015145
monosaccharide transmembrane transporter activity
GO:0015293
symporter activity
GO:0015578
mannose transmembrane transporter activity
GO:0022857
transmembrane transporter activity
Biological Process
GO:0008645
hexose transmembrane transport
GO:0015749
monosaccharide transmembrane transport
GO:0015757
galactose transmembrane transport
GO:0015761
mannose transmembrane transport
GO:0055085
transmembrane transport
GO:0071333
cellular response to glucose stimulus
Cellular Component
GO:0005886
plasma membrane
GO:0016020
membrane
View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:7aar
,
PDBe:7aar
,
PDBj:7aar
PDBsum
7aar
PubMed
34556835
UniProt
Q9LT15
|STP10_ARATH Sugar transport protein 10 (Gene Name=STP10)
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