Structure of PDB 3v0r Chain A Binding Site BS02

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 ID0FU
InChIInChI=1S/C4H7N5O/c5-1-2(6)8-4(7)9-3(1)10/h5H2,(H5,6,7,8,9,10)
InChIKeySYEYEGBZVSWYPK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01n1c(N)c(N)c(O)nc1N
OpenEye OEToolkits 1.7.6c1(c(nc(nc1O)N)N)N
CACTVS 3.370Nc1nc(N)c(N)c(O)n1
FormulaC4 H7 N5 O
Name2,5,6-triaminopyrimidin-4-ol;
4-hydroxy-2,5,6-triaminopyrimidine
ChEMBLCHEMBL2151965
DrugBank
ZINCZINC000018213438
PDB chain3v0r Chain A Residue 212 [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)		G59 T73 S75
Binding residue
(residue number reindexed from 1)		G32 T46 S48
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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