Structure of PDB 1e06 Chain B Binding Site BS01

Receptor Information
>1e06 Chain B (length=147) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELSGKWITSYIGSSDLEKIGENAPFQVFMRSIEFDDKESKVYLNFFSKEN
GICEEFSLIGTKQEGNTYDVNYAGNNKFVVSYASETALIISNINVDEEGD
KTIMTGLLGKGTDIEDQDLEKFKEVTRENGIPEENIVNIIERDDCPA
Ligand information
Ligand IDIPB
InChIInChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3
InChIKeyMGSRCZKZVOBKFT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(C)c1ccc(C)cc1O
OpenEye OEToolkits 1.5.0Cc1ccc(c(c1)O)C(C)C
ACDLabs 10.04Oc1cc(ccc1C(C)C)C
FormulaC10 H14 O
Name5-METHYL-2-(1-METHYLETHYL)PHENOL
ChEMBLCHEMBL29411
DrugBankDB02513
ZINCZINC000000967597
PDB chain1e06 Chain B Residue 600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1e06 Complexes of Porcine Odorant Binding Protein with Odorant Molecules Belonging to Different Chemical Classes
Resolution2.12 Å
Binding residue
(original residue number in PDB)		I21 F88
Binding residue
(residue number reindexed from 1)		I11 F78
Annotation score1
Binding affinityMOAD: ic50=2.5uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005549 odorant binding
GO:0036094 small molecule binding
Biological Process
GO:0007608 sensory perception of smell
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1e06, PDBe:1e06, PDBj:1e06
PDBsum1e06
PubMed10864504
UniProtP81245|OBP_PIG Odorant-binding protein

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