Structure of PDB 1e06 Chain A Binding Site BS01

Receptor Information

>1e06 Chain A (length=149) Species: 9823 (Sus scrofa)

PFELSGKWITSYIGSSDLEKIGENAPFQVFMRSIEFDDKESKVYLNFFSK
ENGICEEFSLIGTKQEGNTYDVNYAGNNKFVVSYASETALIISNINVDEE
GDKTIMTGLLGKGTDIEDQDLEKFKEVTRENGIPEENIVNIIERDDCPA

Ligand information

• Ligand ID: IPB
• InChI: InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3
• InChIKey: MGSRCZKZVOBKFT-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: CC(C)c1ccc(C)cc1O
  OpenEye OEToolkits 1.5.0: Cc1ccc(c(c1)O)C(C)C
  ACDLabs 10.04: Oc1cc(ccc1C(C)C)C
• Formula: C10 H14 O
• Name: 5-METHYL-2-(1-METHYLETHYL)PHENOL
• ChEMBL: CHEMBL29411
• DrugBank: DB02513
• ZINC: ZINC000000967597
• PDB chain: 1e06 Chain A Residue 600

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1e06 Complexes of Porcine Odorant Binding Protein with Odorant Molecules Belonging to Different Chemical Classes
• Resolution: 2.12 Å
• Binding residue (original residue number in PDB): V37 N86 N102
• Binding residue (residue number reindexed from 1): V29 N78 N94
• Annotation score: 1
• Binding affinity: MOAD: ic50=2.5uM
  PDBbind-CN: -logKd/Ki=5.60,IC50=2.5uM

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

External links

• PDB: RCSB:1e06, PDBe:1e06, PDBj:1e06
• PDBsum: 1e06
• PubMed: 10864504
• UniProt: P81245|OBP_PIG Odorant-binding protein