Structure of PDB 1y13 Chain B Binding Site BS03

Receptor Information
>1y13 Chain B (length=163) Species: 5833 (Plasmodium falciparum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NSSAEVSVESPSFSFNCAHFIAYNGFRETLHGHNYNVSLKVRGYVRDDGY
VIDFSILKEKVKKVCNKLDHHFILPIYSDVLKFENVKNNIKIICEDNSEY
SFPERDCIKLPIKHSSTEEIGQYILNQLIEEMDVSLLKSRHIHYIEISVS
ESPTQKAIVHKYI
Ligand information
Ligand IDBIO
InChIInChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h2-3,6,15-16H,1H3,(H3,10,11,13,14,17)/t3-,6-/m1/s1
InChIKeyLHQIJBMDNUYRAM-AWFVSMACSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@H]([C@H](c1cnc2c(n1)C(=O)NC(=N2)N)O)O
ACDLabs 10.04O=C1c2nc(cnc2N=C(N1)N)C(O)C(O)C
CACTVS 3.341C[CH](O)[CH](O)c1cnc2N=C(N)NC(=O)c2n1
CACTVS 3.341C[C@@H](O)[C@@H](O)c1cnc2N=C(N)NC(=O)c2n1
OpenEye OEToolkits 1.5.0CC(C(c1cnc2c(n1)C(=O)NC(=N2)N)O)O
FormulaC9 H11 N5 O3
NameBIOPTERIN
ChEMBL
DrugBankDB03886
ZINCZINC000017129255
PDB chain1y13 Chain C Residue 175 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1y13 Structural Analysis of Plasmodium falciparum 6-pyruvoyl tetrahydropterin synthase (PTPS)
Resolution2.2 Å
Binding residue
(original residue number in PDB)		Y60 D63 F64
Binding residue
(residue number reindexed from 1)		Y50 D53 F54
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
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Biological Process
External links
PDB RCSB:1y13, PDBe:1y13, PDBj:1y13
PDBsum1y13
PubMed
UniProtC6KTB6

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