Structure of PDB 1n8u Chain A Binding Site BS02

Receptor Information
>1n8u Chain A (length=100) Species: 55057 (Mamestra brassicae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KYTDKYDNINLDEILANKRLLVAYVNCVMERGKCSPEGKELKEHLQDAIE
NGCKKCTENQEKGAYRVIEHLIKNEIEIWRELTAKYDPTGNWRKKYEDRA
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 chain1n8u Chain A Residue 412 [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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PDB1n8u Moth chemosensory protein exhibits drastic conformational changes and cooperativity on ligand binding.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		E42 L43 A50 W94 Y98
Binding residue
(residue number reindexed from 1)		E40 L41 A48 W92 Y96
Annotation score1
Binding affinityMOAD: Kd=0.93uM
PDBbind-CN: -logKd/Ki=6.03,Kd=0.93uM
Enzymatic activity
Enzyme Commision number ?
External links