Structure of PDB 2a0s Chain A Binding Site BS01

Receptor Information
>2a0s 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 IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain2a0s Chain A Residue 281 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2a0s Crystal structure of 6-pyruvoyl tetrahydropterin synthase (PTPS) from Plasmodium vivax at 2.2 A resolution
Resolution2.2 Å
Binding residue
(original residue number in PDB)		H36 H48 H50 E168
Binding residue
(residue number reindexed from 1)		H19 H31 H33 E151
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

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Molecular Function
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Biological Process
External links
PDB RCSB:2a0s, PDBe:2a0s, PDBj:2a0s
PDBsum2a0s
PubMed
UniProtA5K2B2

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