Structure of PDB 1rqi Chain B Binding Site BS01

Receptor Information

>1rqi Chain B (length=298) Species: 562 (Escherichia coli)

DFPQQLEACVKQANQALSRFIAPLPFQNTPVVETMQYGALLGGKRLRPFL
VYATGHMFGVSTNTLDAPAAAVECIHAYSLIHDDLPAMDDDDLRRGLPTC
HVKFGEANAILAGDALQTLAFSILSDADMPEVSDRDRISMISELASASGI
AGMCGGQALDLDAEGKHVPLDALERIHRHKTGALIRAAVRLGALSAGDKG
RRALPVLDKYAESIGLAFQVQDDILDVVGDTATLGKRQGADQQLGKSTYP
ALLGLEQARKKARDLIDDARQSLKQLAEQSLDTSALEALADYIIQRNK

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: 1rqi Chain B Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1rqi Structural basis for bisphosphonate-mediated inhibition of isoprenoid biosynthesis
• Resolution: 2.42 Å
• Binding residue (original residue number in PDB): D105 D111
• Binding residue (residue number reindexed from 1): D83 D89
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.5.1.10: (2E,6E)-farnesyl diphosphate synthase.

Gene Ontology

Molecular Function

• GO:0004161 dimethylallyltranstransferase activity
• GO:0004337 geranyltranstransferase activity
• GO:0004659 prenyltransferase activity
• GO:0005515 protein binding
• GO:0016740 transferase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0008299 isoprenoid biosynthetic process
• GO:0033384 geranyl diphosphate biosynthetic process
• GO:0045337 farnesyl diphosphate biosynthetic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:1rqi, PDBe:1rqi, PDBj:1rqi
• PDBsum: 1rqi
• PubMed: 14672944
• UniProt: P22939|ISPA_ECOLI Farnesyl diphosphate synthase (Gene Name=ispA)