Structure of PDB 5z95 Chain A Binding Site BS01

Receptor Information
>5z95 Chain A (length=268) Species: 68872 (Striga hermonthica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SIGLAHNVTILGSGETTVVLGHGYGTDQSVWKLLVPYLVDDYKVLLYDHM
GAGTTNPDYFDFDRYSSLEGYSYDLIAILEEFQVSKCIYVGHSMSSMAAA
VASIFRPDLFHKLVMISPTPRLINTEEYYGGFEQKVMDETLRSLDENFKS
LSLGTAPLLLACDLESAAMQEYCRTLFNMRPDIACCITRMICGLDLRPYL
GHVTVPCHIIQSSNDIMVPVAVGEYLRKNLGGPSVVEVMPTEGHLPHLSM
PEVTIPVVLRHIRQDITD
Ligand information
Ligand IDEGC
InChIInChI=1S/C32H58O10/c1-31(2,3)28-32(4,5)29-6-8-30(9-7-29)42-27-26-41-25-24-40-23-22-39-21-20-38-19-18-37-17-16-36-15-14-35-13-12-34-11-10-33/h6-9,33H,10-28H2,1-5H3
InChIKeyVJYAJQFKKLYARJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(C)(C)CC(C)(C)c1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1
OpenEye OEToolkits 1.5.0CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCOCCO
ACDLabs 10.04O(c1ccc(cc1)C(C)(C)CC(C)(C)C)CCOCCOCCOCCOCCOCCOCCOCCOCCO
FormulaC32 H58 O10
Name2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOX Y}-ETHOXY)-ETHANOL;
TRITON X-100
ChEMBL
DrugBank
ZINCZINC000039470915
PDB chain5z95 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5z95 Structural basis for specific inhibition of the highly sensitive ShHTL7 receptor.
Resolution1.2 Å
Binding residue
(original residue number in PDB)		F134 V138 M139 T142 T190
Binding residue
(residue number reindexed from 1)		F132 V136 M137 T140 T188
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=6.55,Kd=284nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
Biological Process
GO:0080167 response to karrikin

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5z95, PDBe:5z95, PDBj:5z95
PDBsum5z95
PubMed30021834
UniProtA0A0M3PNA2

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