Structure of PDB 3r1v Chain B Binding Site BS01

Receptor Information
>3r1v Chain B (length=123) Species: 7165 (Anopheles gambiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EIPDRYKKPAKMLHEICIAESGASEEQLRTCLDGTVPTAPAAKCYIHCLF
DKIDVVDEATGRILLDRLLYIIPDDVKAAVDHLTRECSHIVTPDKCETAY
ETVKCYFNAHDEVIKFCHLLVLE
Ligand information
Ligand IDAZB
InChIInChI=1S/C15H16N2O/c1-11(2)12-3-5-13(6-4-12)16-17-14-7-9-15(18)10-8-14/h3-11,18H,1-2H3/b17-16+
InChIKeyNQJVTPMZGHHWGR-WUKNDPDISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC(C)c1ccc(cc1)N=Nc2ccc(cc2)O
CACTVS 3.370CC(C)c1ccc(cc1)N=Nc2ccc(O)cc2
OpenEye OEToolkits 1.7.0CC(C)c1ccc(cc1)/N=N/c2ccc(cc2)O
ACDLabs 12.01N(=N/c1ccc(O)cc1)\c2ccc(cc2)C(C)C
FormulaC15 H16 N2 O
Name4-{(E)-[4-(propan-2-yl)phenyl]diazenyl}phenol
ChEMBL
DrugBank
ZINCZINC000095921003
PDB chain3r1v Chain B Residue 128 [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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PDB3r1v The Crystal Structure of Odorant Binding Protein 7 from Anopheles gambiae Exhibits an Outstanding Adaptability of Its Binding Site.
Resolution2.19 Å
Binding residue
(original residue number in PDB)		C35 L69 L87 Y110 F120 C121
Binding residue
(residue number reindexed from 1)		C31 L65 L83 Y106 F116 C117
Annotation score1
Binding affinityMOAD: Kd=0.12uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005549 odorant binding

View graph for
Molecular Function
External links
PDB RCSB:3r1v, PDBe:3r1v, PDBj:3r1v
PDBsum3r1v
PubMed22019737
UniProtQ7PXT9

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