Structure of PDB 2q58 Chain A Binding Site BS01

Receptor Information

>2q58 Chain A (length=335) Species: 353152 (Cryptosporidium parvum Iowa II)

YDYTDFINYYDKFKVIVYNVLKKLPLNDEIRKPVIEYYLNCIDYNVKKGK
HIRGKILVLISSLSSAYSNIKRDSIYLLGWVVEAIQALILIADDIMDSGK
FRRGAPCWYIVHGQSNAINDIFFLKMLSLSLIFELSSVFGNDIVMKIQKI
YNESIFFTVLGQHLDLSYFDLSKADKISERYFSMVEMKTSRYTFYMPVFF
GLTLSEIQVSSAQLNLIEAILYKLGEFYQVHNDVSDYLFNDSNADDICRF
KLTWPLQKSFEIADEEMKLKISENYGKNSSLVKDCYNLLKINEHYLEYQR
NALDYLIKLVKDITDDSLQKVFIHLIHQISELITN

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 2q58 Chain A Residue 3

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2q58 Targeting a uniquely nonspecific prenyl synthase with bisphosphonates to combat cryptosporidiosis
• Resolution: 2.37 Å
• Binding residue (original residue number in PDB): D1115 D1119
• Binding residue (residue number reindexed from 1): D93 D97
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D1255
• Catalytic site (residue number reindexed from 1): D233

Gene Ontology

Molecular Function

• GO:0004161 dimethylallyltranstransferase activity
• GO:0004337 geranyltranstransferase activity
• GO:0004659 prenyltransferase activity
• GO:0016740 transferase activity
• GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups
• GO:0046872 metal ion binding

Biological Process

• GO:0008299 isoprenoid biosynthetic process
• GO:0045337 farnesyl diphosphate biosynthetic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:2q58, PDBe:2q58, PDBj:2q58
• PDBsum: 2q58
• PubMed: 19101474
• UniProt: Q5CR09