Structure of PDB 3ldw Chain D Binding Site BS04

Receptor Information

>3ldw Chain D (length=352) Species: 126793 (Plasmodium vivax Sal-1)

FRNMYDKYRDAFLSHLNEYSLEEEIKEHISKYYKLLFDYNCLGGKNNRGI
LVILIYEYVKNSSEWEKAACLAWCIEILQAAFLVADDIMDKGEMRRNKYC
WYLLKDVETKNAVNDVLLLYNSIYKLIEIYLRNESCYVDVIATFRDATLK
TIIGQHLDTNIFSDKYSHREIDVNNINVPEQPVIDINMINFGVYKNIVIH
KTAYYSFFLPIVCGMLLAGIDNLIYKKIEDISMLMGEYFQIHDDYLDIFG
DSTKTGKVGSDIQNNKLTWPLIKTFELCSEPDKIKIVKNYGKNNLACVKV
IDSLYEQYKIRKHYESYEKAQKAKILSAINELHHEGIEYVLKYLLEILFT
GV

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: 3ldw Chain D Residue 1103

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3ldw Molecular characterization of a novel geranylgeranyl pyrophosphate synthase from Plasmodium parasites.
• Resolution: 2.47 Å
• Binding residue (original residue number in PDB): D126 D130
• Binding residue (residue number reindexed from 1): D86 D90
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): K81 A121 D126 D130 R135 D198 K243 F283 D287 D288
• Catalytic site (residue number reindexed from 1): K45 A81 D86 D90 R95 D158 K201 F239 D243 D244

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
• GO:0016020 membrane

External links

• PDB: RCSB:3ldw, PDBe:3ldw, PDBj:3ldw
• PDBsum: 3ldw
• PubMed: 21084289
• UniProt: A5K4U6