Structure of PDB 4n1z Chain F Binding Site BS03

Receptor Information

>4n1z Chain F (length=333) Species: 9606 (Homo sapiens)

VYAQEKQDFVQHFSQIVRVLTHPEIGDAIARLKEVLEYNAIGGKYNRGLT
VVVAFRELVEPRKQDADSLQRAWTVGWCVELLQAFFLVADDIMDSSLTRR
GQICWYQKPGVGLDAINDANLLEACIYRLLKLYCREQPYYLNLIELFLQS
SYQTEIGQTLDLLTAPQGNLVRFTEKRYKSIVKYKTAFYSFYLPIAAAMY
MAGIDGEKEHANAKKILLEMGEFFQIQDDYLDLFGDPSVTGKIGTDIQDN
KCSWLVVQCLQRATPEQYQILKENYGQKEAEKVARVKALYEELDLPAVFL
QYEEDSYSHIMALIEQYAAPLPPAVFLGLARKI

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: 4n1z Chain F Residue 404

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4n1z A combination therapy for KRAS-driven lung adenocarcinomas using lipophilic bisphosphonates and rapamycin.
• Resolution: 2.35 Å
• Binding residue (original residue number in PDB): D103 D107
• Binding residue (residue number reindexed from 1): D90 D94
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.5.1.1: dimethylallyltranstransferase.
  2.5.1.10: (2E,6E)-farnesyl diphosphate synthase.

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:4n1z, PDBe:4n1z, PDBj:4n1z
• PDBsum: 4n1z
• PubMed: 25411474
• UniProt: P14324|FPPS_HUMAN Farnesyl pyrophosphate synthase (Gene Name=FDPS)