Structure of PDB 6qlv Chain H Binding Site BS03

Receptor Information

>6qlv Chain H (length=193) Species: 287 (Pseudomonas aeruginosa)

SGPERITLAMTGASGAQYGLRLLDCLVQEEREVHFLISKAAQLVMATETD
VALPAKPQAMQAFLTEYCGAAAGQIRVFGQNDWMAPPASGSSAPNAMVIC
PCSTGTLSAVATGACNNLIERAADVALKERRPLVLVPREAPFSSIHLENM
LKLSNLGAVILPAAPGFYHQPQSVEDLVDFVVARILNTLGIPQ

Ligand information

• Ligand ID: HZZ
• InChI: InChI=1S/C10H19O4P/c1-9(2)5-4-6-10(3)7-8-14-15(11,12)13/h5,7H,4,6,8H2,1-3H3,(H2,11,12,13)/b10-7-
• InChIKey: FFOWJDCTFSWUMJ-YFHOEESVSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: CC(=CCC/C(=C\COP(=O)(O)O)/C)C
  CACTVS 3.385: CC(C)=CCCC(C)=CCO[P](O)(O)=O
  CACTVS 3.385: CC(C)=CCC\C(C)=C/CO[P](O)(O)=O
  OpenEye OEToolkits 2.0.7: CC(=CCCC(=CCOP(=O)(O)O)C)C
• Formula: C10 H19 O4 P
• Name: [(2~{Z})-3,7-dimethylocta-2,6-dienyl] dihydrogen phosphate;
  [(2Z)-3,7-dimethylocta-2,6-dienyl] dihydrogen phosphate;
  (Z)-3,7-Dimethylocta-2,6-dien-1-yl dihydrogen phosphate;
  Geranyl monophosphate
• PDB chain: 6qlv Chain H Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6qlv The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry.
• Resolution: 2.391 Å
• Binding residue (original residue number in PDB): S90 G91 R122 K129
• Binding residue (residue number reindexed from 1): S89 G90 R121 K128
• Annotation score: 3

Enzymatic activity

• Enzyme Commision number: 2.5.1.129: flavin prenyltransferase.

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0003824 catalytic activity
• GO:0004659 prenyltransferase activity
• GO:0016829 lyase activity
• GO:0016831 carboxy-lyase activity
• GO:0106141 flavin prenyltransferase activity

External links

• PDB: RCSB:6qlv, PDBe:6qlv, PDBj:6qlv
• PDBsum: 6qlv
• PubMed: 31142738
• UniProt: A0A072ZCW8