Structure of PDB 4zew Chain B Binding Site BS02

Receptor Information

>4zew Chain B (length=270) Species: 36329 (Plasmodium falciparum 3D7)

NDEIKIIFTALDGTLLNSENKVSEQNLESLIRAQEKGIKVVIATGRSIFS
VENVIGEHVKKNRISLLPGIYMNGCVTFDEKGSRVIDRIMNNDLKMEIHE
FSKQINISKYAIWFCLEKTYCFEINDCIREYMEVEALNPDVIEDNMLEGL
TVYKVLFSLPENILENTLKLCREKFSHRINVANTFQSYVELFHQHTNKFE
GVKEICKYYNISLNNALAMGDGENDIEMLSGLTHSVGVHNASEKVKNSAA
YVGPSNNEHAISHVLKTFCD

Ligand information

• Ligand ID: PO4
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
• InChIKey: NBIIXXVUZAFLBC-UHFFFAOYSA-K
• SMILES:
  CACTVS 3.341: [O-][P]([O-])([O-])=O
  ACDLabs 10.04: [O-]P([O-])([O-])=O
  OpenEye OEToolkits 1.5.0: [O-]P(=O)([O-])[O-]
• Formula: O4 P
• Name: PHOSPHATE ION
• DrugBank: DB14523
• PDB chain: 4zew Chain B Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4zew Cap-domain closure enables diverse substrate recognition by the C2-type haloacid dehalogenase-like sugar phosphatase Plasmodium falciparum HAD1.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): L28 D29 T61
• Binding residue (residue number reindexed from 1): L11 D12 T44
• Annotation score: 3

Enzymatic activity

• Enzyme Commision number: 3.8.1.-

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0016787 hydrolase activity
• GO:0046872 metal ion binding
• GO:0050308 sugar-phosphatase activity

Biological Process

• GO:0010323 negative regulation of isopentenyl diphosphate biosynthetic process, methylerythritol 4-phosphate pathway
• GO:0016311 dephosphorylation

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:4zew, PDBe:4zew, PDBj:4zew
• PDBsum: 4zew
• PubMed: 26327372
• UniProt: Q8IJ74