Structure of PDB 4f6x Chain A Binding Site BS02

Receptor Information

>4f6x Chain A (length=281) Species: 1280 (Staphylococcus aureus)

MTMMDMNFKYCHKIMKKHSKSFSYAFDLLPEDQRKAVWAIYAVCRKIDDS
IDDIQFLNQIKEDIQSIEKYPYEYHHFQSDRRIMMALQHVAQHKNIAFQS
FYNLIDTVYKDQHFTMFETDAELFGYCYGVAGTVGEVLTPILSDHETHQT
YDVARRLGESLQLINILRDVGEDFENERIYFSKQRLKQYEVDIAEVYQNG
VNNHYIDLWEYYAAIAEKDFRDVMDQIKVFSIEAQPIIELAARIYIEILD
EVRQANYTLHERVFVEKRKKAKLFHEINSKY

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: 4f6x Chain A Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4f6x HIV-1 Integrase Inhibitor-Inspired Antibacterials Targeting Isoprenoid Biosynthesis.
• Resolution: 1.98 Å
• Binding residue (original residue number in PDB): N168 D172
• Binding residue (residue number reindexed from 1): N165 D169
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.5.1.96: 4,4'-diapophytoene synthase.

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0004311 farnesyltranstransferase activity
• GO:0016740 transferase activity
• GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups
• GO:0016767 geranylgeranyl-diphosphate geranylgeranyltransferase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0009058 biosynthetic process
• GO:0016117 carotenoid biosynthetic process

External links

• PDB: RCSB:4f6x, PDBe:4f6x, PDBj:4f6x
• PDBsum: 4f6x
• PubMed: 22662288
• UniProt: A9JQL9|CRTM_STAAU 4,4'-diapophytoene synthase (Gene Name=crtM)