Structure of PDB 1n0s Chain A Binding Site BS01

Receptor Information
>1n0s Chain A (length=173) Species: 7116 (Pieris brassicae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVYHDGACPEVKPVDNFDWSQYHGKWWEVAKYPSPNGKYGKCGWAEYTPE
GKSVKVSRYDVIHGKEYFMEGTAYPVGDSKIGKIYHSRTVGGYTRKTVFN
VLSTDNKNYIIGYSCRYDEDKKGHWDHVWVLSRSMVLTGEAKTAVENYLI
GSPVVDSQKLVYSDFSEAACKVN
Ligand information
Ligand IDFLU
InChIInChI=1S/C20H12O5/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24/h1-10,21H,(H,23,24)
InChIKeyYKGGGCXBWXHKIZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)c4ccccc4C=1c3c(OC=2C=1C=CC(=O)C=2)cc(O)cc3
CACTVS 3.341OC(=O)c1ccccc1C2=C3C=CC(=O)C=C3Oc4cc(O)ccc24
OpenEye OEToolkits 1.5.0c1ccc(c(c1)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O)C(=O)O
FormulaC20 H12 O5
Name2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID;
FLUORESCEIN
ChEMBLCHEMBL177756
DrugBank
ZINCZINC000003872582
PDB chain1n0s Chain A Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1n0s Crystallographic analysis of an "anticalin" with tailored specificity for fluorescein reveals high structural plasticity of the lipocalin loop region.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		Y22 E28 Y47 R58 M69 H86 F99 H127 W129
Binding residue
(residue number reindexed from 1)		Y22 E28 Y47 R58 M69 H86 F99 H127 W129
Annotation score1
Binding affinityMOAD: Kd=35.2nM
PDBbind-CN: -logKd/Ki=7.45,Kd=35.2nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0031409 pigment binding
Biological Process
GO:0000302 response to reactive oxygen species
GO:0006629 lipid metabolic process
GO:0006950 response to stress
Cellular Component
GO:0005576 extracellular region
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1n0s, PDBe:1n0s, PDBj:1n0s
PDBsum1n0s
PubMed12945055
UniProtP09464|BBP_PIEBR Bilin-binding protein

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