Structure of PDB 2o1o Chain A Binding Site BS01

Receptor Information

>2o1o Chain A (length=335) Species: 5807 (Cryptosporidium parvum)

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: 2o1o Chain A Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2o1o Targeting a uniquely nonspecific prenyl synthase with bisphosphonates to combat cryptosporidiosis
• Resolution: 2.42 Å
• Binding residue (original residue number in PDB): D115 D119
• Binding residue (residue number reindexed from 1): D93 D97
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): K72 L110 D115 D119 R124 D187 K210 Y250 N254 D255
• Catalytic site (residue number reindexed from 1): K50 L88 D93 D97 R102 D165 K188 Y228 N232 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:2o1o, PDBe:2o1o, PDBj:2o1o
• PDBsum: 2o1o
• PubMed: 19101474
• UniProt: Q5CR09