Structure of PDB 1e00 Chain A Binding Site BS01

Receptor Information

>1e00 Chain A (length=149) Species: 9823 (Sus scrofa)

PFELSGKWITSYIGSSDLEKIGENAPFQVFMRSIEFDDKESKVYLNFFSK
ENGICEEFSLIGTKQEGNTYDVNYAGNNKFVVSYASETALIISNINVDEE
GDKTIMTGLLGKGTDIEDQDLEKFKEVTRENGIPEENIVNIIERDDCPA

Ligand information

• Ligand ID: DHM
• InChI: InChI=1S/C10H20O/c1-5-9(2)7-6-8-10(3,4)11/h5,9,11H,1,6-8H2,2-4H3/t9-/m0/s1
• InChIKey: XSNQECSCDATQEL-VIFPVBQESA-N
• SMILES:
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: C[C@H](CCCC(C)(C)O)C=C
  OpenEye OEToolkits 1.5.0: CC(CCCC(C)(C)O)C=C
  CACTVS 3.341: C[CH](CCCC(C)(C)O)C=C
  ACDLabs 10.04: OC(C)(C)CCCC(\C=C)C
• Formula: C10 H20 O
• Name: 2,6-DIMETHYL-7-OCTEN-2-OL
• ZINC: ZINC000002017308
• PDB chain: 1e00 Chain A Residue 600

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1e00 Complexes of Porcine Odorant Binding Protein with Odorant Molecules Belonging to Different Chemical Classes
• Resolution: 1.83 Å
• Binding residue (original residue number in PDB): F88 N102 M114 T115
• Binding residue (residue number reindexed from 1): F80 N94 M106 T107
• Annotation score: 1
• Binding affinity: MOAD: ic50=0.8uM
  PDBbind-CN: -logKd/Ki=6.10,IC50=0.8uM

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:1e00, PDBe:1e00, PDBj:1e00
• PDBsum: 1e00
• PubMed: 10864504
• UniProt: P81245|OBP_PIG Odorant-binding protein