Structure of PDB 1n8v Chain A Binding Site BS03

Receptor Information
>1n8v Chain A (length=101) Species: 55057 (Mamestra brassicae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KYTDKYDNINLDEILANKRLLVAYVNCVMERGKCSPEGKELKEHLQDAIE
NGCKKCTENQEKGAYRVIEHLIKNEIEIWRELTAKYDPTGNWRKKYEDRA
K
Ligand information
Ligand IDBDD
InChIInChI=1S/C12H25BrO/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h14H,1-12H2
InChIKeyASIDMJNTHJYVQJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04BrCCCCCCCCCCCCO
OpenEye OEToolkits 1.5.0C(CCCCCCBr)CCCCCO
CACTVS 3.341OCCCCCCCCCCCCBr
FormulaC12 H25 Br O
NameBROMO-DODECANOL
ChEMBLCHEMBL1231267
DrugBankDB02619
ZINCZINC000002047662
PDB chain1n8v Chain A Residue 503 [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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PDB1n8v Moth chemosensory protein exhibits drastic conformational changes and cooperativity on ligand binding.
Resolution1.39 Å
Binding residue
(original residue number in PDB)		G65 A66 I70 W81 T85 D89
Binding residue
(residue number reindexed from 1)		G63 A64 I68 W79 T83 D87
Annotation score1
Binding affinityMOAD: Kd=0.93uM
PDBbind-CN: -logKd/Ki=6.03,Kd=0.93uM
Enzymatic activity
Enzyme Commision number ?
External links