Structure of PDB 3q8i Chain A Binding Site BS01

Receptor Information
>3q8i Chain A (length=123) Species: 7165 (Anopheles gambiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TMKQLTNSMDMMRQACAPKFKVEEAELHGLRKSIFPANPDKELKCYAMCI
AQMAGTMTKKGEISFSKTMAQIEAMLPPEMKTMAKEALTHCKDTQTSYKD
PCDKAYFSAKCAADFTPDTFMFP
Ligand information
Ligand IDIND
InChIInChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
InChIKeySIKJAQJRHWYJAI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[nH]1ccc2ccccc12
OpenEye OEToolkits 1.5.0c1ccc2c(c1)cc[nH]2
ACDLabs 10.04c1cccc2c1ccn2
FormulaC8 H7 N
NameINDOLE
ChEMBLCHEMBL15844
DrugBankDB04532
ZINCZINC000014516984
PDB chain3q8i Chain A Residue 127 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3q8i Conformational ordering plays a key role in regulating heterodimeric interactions between odorant binding proteins from Anopheles gambiae
Resolution2.0 Å
Binding residue
(original residue number in PDB)		A52 T57 A106 F123
Binding residue
(residue number reindexed from 1)		A51 T56 A105 F122
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005549 odorant binding
GO:0035275 dibutyl phthalate binding
GO:0046872 metal ion binding
Biological Process
GO:0007608 sensory perception of smell
GO:0042048 olfactory behavior
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3q8i, PDBe:3q8i, PDBj:3q8i
PDBsum3q8i
PubMed
UniProtQ8T6R7

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