Structure of PDB 5zr2 Chain D Binding Site BS01

Receptor Information

>5zr2 Chain D (length=197) Species: 885318 (Entamoeba histolytica HM-1:IMSS-A)

MTKLILIRAGETEWNLLGKIQGCTDIELTPNGIQQANEVAQQIKGNFDII
YSSPLHRALITAQKIAGDKEVHLIEGMKEIPFGTWEGHTFEELNGDINYK
KFLSGEDGCPFDSTGMSIASWSKKNAQLLLDLCKQNENKTIVCVSHGAWI
KTSILGLLEMEPTMYHKFQLGNTGITTFIFRHGHPVLTSFNSTQHLL

Ligand information

• Ligand ID: SEP
• InChI: InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1
• InChIKey: BZQFBWGGLXLEPQ-REOHCLBHSA-N
• SMILES:
  ACDLabs 10.04: O=P(O)(O)OCC(C(=O)O)N
  OpenEye OEToolkits 1.5.0: C(C(C(=O)O)N)OP(=O)(O)O
  CACTVS 3.341: N[CH](CO[P](O)(O)=O)C(O)=O
  CACTVS 3.341: N[C@@H](CO[P](O)(O)=O)C(O)=O
  OpenEye OEToolkits 1.5.0: C([C@@H](C(=O)O)N)OP(=O)(O)O
• Formula: C3 H8 N O6 P
• Name: PHOSPHOSERINE;
  PHOSPHONOSERINE
• ChEMBL: CHEMBL284377
• DrugBank: DB04522
• ZINC: ZINC000003869280
• PDB chain: 5zr2 Chain D Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5zr2 Structural and functional characterisation of phosphoserine phosphatase, that plays critical role in the oxidative stress response in the parasite Entamoeba histolytica.
• Resolution: 2.95 Å
• Binding residue (original residue number in PDB): R8 N15 I20 Q21 R57 E79 H146 G147
• Binding residue (residue number reindexed from 1): R8 N15 I20 Q21 R57 E79 H146 G147
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0016791 phosphatase activity

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:5zr2, PDBe:5zr2, PDBj:5zr2
• PDBsum: 5zr2
• PubMed: 30935984
• UniProt: N9V397