Structure of PDB 3v0r Chain A Binding Site BS01

Receptor Information
>3v0r Chain A (length=130) Species: 5599 (Alternaria alternata) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASCPVTTEGDYVWKISEFYGRKPEGTYYNSLGFNIKATNGGTLDFTCSAQ
ADKLEDHKWYSCGENSFMDFSFDSDRSGLLLKQKVSDDITYVATATLPNY
CRAGGNGPKDFVCQGVADAYITLVTLPKSS
Ligand information
Ligand ID8AC
InChIInChI=1S/C8H17NO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7,9H2,(H,10,11)
InChIKeyUQXNEWQGGVUVQA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(CCCC(=O)O)CCCN
CACTVS 3.370NCCCCCCCC(O)=O
ACDLabs 12.01O=C(O)CCCCCCCN
FormulaC8 H17 N O2
Name8-aminooctanoic acid;
8-aminocaprylic acid
ChEMBLCHEMBL196105
DrugBank
ZINCZINC000001689483
PDB chain3v0r Chain A Residue 211 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3v0r Alternaria alternata allergen Alt a 1: a unique beta-barrel protein dimer found exclusively in fungi.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D37 Y38 Q110 Y118
Binding residue
(residue number reindexed from 1)		D10 Y11 Q83 Y91
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
Cellular Component
GO:0005576 extracellular region
GO:0005619 ascospore wall
GO:0031160 spore wall

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:3v0r, PDBe:3v0r, PDBj:3v0r
PDBsum3v0r
PubMed22664167
UniProtP79085|ALTA1_ALTAL Major allergen Alt a 1 (Gene Name=ALTA1)

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