Structure of PDB 6b04 Chain A Binding Site BS02

Receptor Information

>6b04 Chain A (length=341) Species: 7141 (Choristoneura fumiferana)

TKKESFEDVLPSILNTITTNSELTEVPEVANWLKKVLEYNLAGGKKARGL
TTLFAYEMLEKPENITEETIYLAKTLGWCVEILQGFLVMLDDIMDGSTTR
RGVPCWYQLPEVGLAAVNDSSLMFSSIFYVLHAHFADKKIYTNLVELFNE
SLMHTSIGQHLDVTMERRQKSDYSLFTIERYNAIVKYKTAYYTYQLPVCL
GMLLANISDPVLHQKAEDMCLEIGKFFQIQDDYIDCYGDESLTGKMGTDI
QEAKCSWLAVMALQRCSASQKIVFTTCYGSKEPAHIERIKELYKQLQLPE
LYAQEETRMYESLIKQAHGLPSELSPALFVRLIHMIYKRNH

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: 6b04 Chain A Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6b04 Structural characterization of a lepidopteran type-II farnesyl diphosphate synthase from the spruce budworm, Choristoneura fumiferana: Implications for inhibitor design.
• Resolution: 1.83 Å
• Binding residue (original residue number in PDB): D147 D151
• Binding residue (residue number reindexed from 1): D91 D95
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): K101 F142 D147 D151 R156 D218 K244 F283 D287 D288
• Catalytic site (residue number reindexed from 1): K45 F86 D91 D95 R100 D162 K188 F227 D231 D232
• Enzyme Commision number: 2.5.1.-

Gene Ontology

Molecular Function

• GO:0004659 prenyltransferase activity
• GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups

Biological Process

• GO:0008299 isoprenoid biosynthetic process

External links

• PDB: RCSB:6b04, PDBe:6b04, PDBj:6b04
• PDBsum: 6b04
• PubMed: 29183817
• UniProt: Q1XAB1