Structure of PDB 3lx3 Chain A Binding Site BS02

Receptor Information
>3lx3 Chain A (length=163) Species: 5855 (Plasmodium vivax) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DQIAELLVESPLFSFNCAHFIAFKGFRETLHGHNYNVSLRLRGNIQGDGY
VIDFSILKEKVRKVCKQLDHHFILPMYSDVLNIQEVNDNFKITCEDNSEY
SFPKRDCVQIPIKHSSTEEIGLYILNQLIEEIDLPFLKTRSVNYMEVTVS
ESPSQKATVHRNI
Ligand information
Ligand IDXTN
InChIInChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4/h1H,(H,9,12)(H3,7,8,10,11,13)
InChIKeyVURKRJGMSKJIQX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370NC1=NC(=O)C2=C(N1)N=CC(=O)N2
ACDLabs 12.01O=C1C=NC2=C(N1)C(=O)N=C(N)N2
OpenEye OEToolkits 1.7.0C1=NC2=C(C(=O)N=C(N2)N)NC1=O
FormulaC6 H5 N5 O2
Name2-amino-1,5-dihydropteridine-4,6-dione;
Xanthopterin
ChEMBLCHEMBL1236854
DrugBank
ZINCZINC000012660678
PDB chain3lx3 Chain A Residue 211 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3lx3 Structural analysis of the dual-functional 6-pyruvoyltetrahydropterin synthase from Malaria parasites.
Resolution1.55 Å
Binding residue
(original residue number in PDB)		S125 T126 E127
Binding residue
(residue number reindexed from 1)		S116 T117 E118
Annotation score1
Enzymatic activity
Enzyme Commision number 4.2.3.12: 6-pyruvoyltetrahydropterin synthase.
Gene Ontology
Molecular Function
GO:0003874 6-pyruvoyltetrahydropterin synthase activity
GO:0016829 lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0006729 tetrahydrobiopterin biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3lx3, PDBe:3lx3, PDBj:3lx3
PDBsum3lx3
PubMed
UniProtA5K2B2

[Back to BioLiP]