Structure of PDB 6qlg Chain A Binding Site BS01

Receptor Information

>6qlg Chain A (length=188) Species: 5061 (Aspergillus niger)

RRRRIVVAMTGATGAMLGIKVLIALRRLNVETHLVMSKWAEATIKYETDY
HPSNVRALADYVHNINDMAAPVSSGSFRADGMIVVPCSMKTLAAIHSGFC
DDLISRTADVMLKERRRLVLVARETPLSEIHLRNMLEVTRAGAVIFPPVP
AFYIKAGSIEDLIDQSVGRMLDLFDLDTGDFERWNGWE

Ligand information

• Ligand ID: DMA
• InChI: InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h3H,4H2,1-2H3,(H,9,10)(H2,6,7,8)
• InChIKey: CBIDRCWHNCKSTO-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: CC(=CCOP(=O)(O)OP(=O)(O)O)C
  ACDLabs 10.04: O=P(OP(=O)(OC/C=C(/C)C)O)(O)O
  OpenEye OEToolkits 1.5.0: CC(=CCO[P@@](=O)(O)OP(=O)(O)O)C
  CACTVS 3.341: CC(C)=CCO[P@](O)(=O)O[P](O)(O)=O
  CACTVS 3.341: CC(C)=CCO[P](O)(=O)O[P](O)(O)=O
• Formula: C5 H12 O7 P2
• Name: DIMETHYLALLYL DIPHOSPHATE
• ChEMBL: CHEMBL343480
• DrugBank: DB01785
• ZINC: ZINC000008215740
• PDB chain: 6qlg Chain C Residue 304

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6qlg The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry.
• Resolution: 2.15 Å
• Binding residue (original residue number in PDB): E162 T163
• Binding residue (residue number reindexed from 1): E124 T125
• 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:0016831 carboxy-lyase activity
• GO:0106141 flavin prenyltransferase activity

Cellular Component

• GO:0005739 mitochondrion

External links

• PDB: RCSB:6qlg, PDBe:6qlg, PDBj:6qlg
• PDBsum: 6qlg
• PubMed: 31142738
• UniProt: A3F715