Structure of PDB 6jww Chain B Binding Site BS04

Receptor Information
>6jww Chain B (length=559) Species: 5833 (Plasmodium falciparum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QELILSEENKTNIAVLNLGTNDRRNAVLILETALHLVEKYLGKIINTSYL
YETVPEYIYINELMQNLEESKYEENKELIDKCEEYETFLKNGKVDNSILK
EVNVENYLLECNNIIVKNDEIMYFYNLTVVVKTFVNDPLSMLVVIKYIEE
LMKIIDIDILFFNDFTIFMKNIKLEKNMIYKILSKYIHLEQEIINNMVDN
IEFLSIPHVYTTHRYSILLCLNDMIPEYKHNVLNNTIRCLYNKYVSRMKE
QYNINIKENNKRIYVLKDRISYLKEKTNIVGILNVNYFVEPKRAVQRMFE
MINEGASVIDIGGESFGNPKISERDLVVPVLQLFQKEWNDIKNKIVKCDA
KPIISIDTINYNVFKECVDNDLVDILNDISACTNNPEIIKLLKKKNKFYS
VVLMHKRGNPHTMDKLTNYDNLVYDIKNYLEQRLNFLVLNGIPRYRILFD
IGLGFAKKHDQSIKLLQNIHVYDEYPLFIGYSRKRFITHCMNDDKDQLLY
QKNICGGLAIASYSYYKKVDLIRVHDVLETKSVLDVLTKIDQVKDPNSSS
VDKLAAALE
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain6jww Chain B Residue 806 [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]
PDB6jww The structure of Plasmodium falciparum hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase reveals the basis of sulfa resistance.
Resolution2.75 Å
Binding residue
(original residue number in PDB)		E42 G46 E99
Binding residue
(residue number reindexed from 1)		E38 G42 E74
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:6jww, PDBe:6jww, PDBj:6jww
PDBsum6jww
PubMed31883412
UniProtQ25704

[Back to BioLiP]