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Structure of PDB 1y13 Chain C Binding Site BS03

Receptor Information
>1y13 Chain C (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
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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)		I31 E38 H41 H43 S126 T127 E128 E161
Binding residue
(residue number reindexed from 1)		I21 E28 H31 H33 S116 T117 E118 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

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