Structure of PDB 6jwy Chain A Binding Site BS04

Receptor Information
>6jwy Chain A (length=538) Species: 5833 (Plasmodium falciparum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELILSEENKTNIAVLNLGTNDRRNAVLILETALHLVEKYLGKIINTSYLY
ETVPEYIVVNYINELMQNLEESKYEENKELIDKCEEYETFLKNGKVDNSI
LKEVNVENYLLECNNIIVKNDEIMKNNSYFYNLTVVVKTFVNDPLSMLVV
IKYIEELMKRRIIDIDILFFNDFTIFMKNIKLEKNMIYKILSKYIHLEPQ
EIINNMVDNIEFLSIPHVYTTHRYSILLCLNDMIPEYKHNVLNNTIRCLY
NKYVSRMKEQYNINIKENNKRIYVLKDRISYLKEKTNIVGILNVNYVEPK
RAVQRMFEMINEGASVIDIGGISERDLVVPVLQLFQKEWNDIKCDAKPII
SIDTINYNVFKECVDNDLVDILNDISACTNNPEIIKLLKKKNKFYSVVLM
HKRGNPHTMDKLTNYDNLVYDIKNYLEQRLNFLVLNGIPRYRILFDIGLG
FAKKHDQSIKLLQNIHVYDEYPLFIGYSRKRFIAHCMNDQLLYQKNICGG
LAIASYSYYKKVDLIRVHDVLETKSVLDVLTKIDQVKD
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain6jwy Chain A Residue 804 [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]
PDB6jwy The structure of Plasmodium falciparum hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase reveals the basis of sulfa resistance.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		E188 D208
Binding residue
(residue number reindexed from 1)		E155 D164
Annotation score1
Enzymatic activity
Enzyme Commision number 2.5.1.15: dihydropteroate synthase.
2.7.6.3: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase.
Gene Ontology
Molecular Function
GO:0003848 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase activity
GO:0004156 dihydropteroate synthase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0046872 metal ion binding
Biological Process
GO:0009396 folic acid-containing compound biosynthetic process
GO:0016310 phosphorylation
GO:0042558 pteridine-containing compound metabolic process
GO:0044237 cellular metabolic process
GO:0046654 tetrahydrofolate biosynthetic process
GO:0046656 folic acid biosynthetic process
Cellular Component
GO:0005740 mitochondrial envelope

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6jwy, PDBe:6jwy, PDBj:6jwy
PDBsum6jwy
PubMed31883412
UniProtQ25704

[Back to BioLiP]