Structure of PDB 1ow4 Chain B Binding Site BS01

Receptor Information
>1ow4 Chain B (length=119) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSTQSYKDAMGPLVRECMGSVSATEDDFKTVLNRNPLESRTAQCLLACAL
DKVGLISPEGAIYTGDDLMPVMNRLYGFNDFKTVMKAKAVNDCANQVNGA
YPDRCDLIKNFTDCVRNSY
Ligand information
Ligand ID2AN
InChIInChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
InChIKeyFWEOQOXTVHGIFQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=S(=O)(O)c3cccc2cccc(Nc1ccccc1)c23
CACTVS 3.370O[S](=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
OpenEye OEToolkits 1.7.0c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O
FormulaC16 H13 N O3 S
Name8-ANILINO-1-NAPHTHALENE SULFONATE
ChEMBLCHEMBL285527
DrugBankDB04474
ZINCZINC000001532216
PDB chain1ow4 Chain B Residue 1003 [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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PDB1ow4 THE CRYSTAL STRUCTURE OF A COCKROACH PHEROMONE-BINDING PROTEIN SUGGESTS A NEW LIGAND BINDING AND RELEASE MECHANISM
Resolution1.6 Å
Binding residue
(original residue number in PDB)		Y5 R33 M71 Y75 V89
Binding residue
(residue number reindexed from 1)		Y6 R34 M72 Y76 V90
Annotation score1
Binding affinityMOAD: Kd=2.1uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005549 odorant binding

View graph for
Molecular Function
External links
PDB RCSB:1ow4, PDBe:1ow4, PDBj:1ow4
PDBsum1ow4
PubMed12766173
UniProtQ8MTC1

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