Structure of PDB 2xqr Chain J Binding Site BS01

Receptor Information
>2xqr Chain J (length=146) Species: 4097 (Nicotiana tabacum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLVETTCKNTPNYQLCLKTLLSDKRSATGDITTLALIMVDAIKAKANQAA
VTISKLRHSNPPAAWKGPLKNCAFSYKVILTASLPEAIEALTKGDPKFAE
DGMVGSSGDAQECEEYFKGSKSPFSALNIAVHELSDVGRAIVRNLL
Ligand information
Ligand IDFRU
InChIInChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1
InChIKeyRFSUNEUAIZKAJO-ARQDHWQXSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04OC1C(O)C(OC1(O)CO)CO
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O
CACTVS 3.341OC[CH]1O[C](O)(CO)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)(CO)O)O)O)O
CACTVS 3.341OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
FormulaC6 H12 O6
Namebeta-D-fructofuranose;
beta-D-fructose;
D-fructose;
fructose
ChEMBLCHEMBL604608
DrugBank
ZINCZINC000001529270
PDB chain2xqr Chain I Residue 1000 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2xqr Structural Insights Into the Ph-Controlled Targeting of Plant Cell-Wall Invertase by a Specific Inhibitor Protein.
Resolution2.58 Å
Binding residue
(original residue number in PDB)		D96 K98
Binding residue
(residue number reindexed from 1)		D95 K97
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004857 enzyme inhibitor activity
Biological Process
GO:0043086 negative regulation of catalytic activity

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Molecular Function
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Biological Process
External links
PDB RCSB:2xqr, PDBe:2xqr, PDBj:2xqr
PDBsum2xqr
PubMed20858733
UniProtO49908

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