Structure of PDB 2q58 Chain B Binding Site BS02

Receptor Information
>2q58 Chain B (length=329) Species: 353152 (Cryptosporidium parvum Iowa II) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YDYTDFINYYDKFKVIVYNVLKKLPVIEYYLNCIDYNVKKGKHIRGKILV
LISSLAYSNIKRDSIYLLGWVVEAIQALILIADDIMDSGKFRRGAPCWYI
VHGQSNAINDIFFLKMLSLSLIFELSSVFGNDIVMKIQKIYNESIFFTVL
GQHLDLSYFDLSKADKISERYFSMVEMKTSRYTFYMPVFFGLTLSEIQVS
SAQLNLIEAILYKLGEFYQVHNDVSDYLFNDSNADDICRFKLTWPLQKSF
EIADEEMKLKISENYGKNSSLVKDCYNLLKINEHYLEYQRNALDYLIKLV
KDITDDSLQKVFIHLIHQISELITNSRSN
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain2q58 Chain B Residue 7 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2q58 Targeting a uniquely nonspecific prenyl synthase with bisphosphonates to combat cryptosporidiosis
Resolution2.37 Å
Binding residue
(original residue number in PDB)		D2119 D2187
Binding residue
(residue number reindexed from 1)		D87 D155
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K2072 L2110 D2115 D2119 R2124 D2187 K2210 Y2250 N2254 D2255
Catalytic site (residue number reindexed from 1) K42 L78 D83 D87 R92 D155 K178 Y218 N222 D223
Enzyme Commision number ?
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2q58, PDBe:2q58, PDBj:2q58
PDBsum2q58
PubMed19101474
UniProtQ5CR09

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