Structure of PDB 8x37 Chain A Binding Site BS01

Receptor Information

>8x37 Chain A (length=233) Species: 4081 (Solanum lycopersicum)

SCSLNLKLCLMPKHIALIMDGNRRWAKDKGLEVYEGHKHIIPKLKEICDI
SSKLGIQIITAFAFSTENWKRSKEEVDFLLQMFEEIYDEFSRSGVRVSII
GCKSDLPMTLQKCIALTEETTKGNKGLHLVIALNYGGYYDILQATKSIVN
KAMNGLLDVEDINKNLFDQELESKCPNPDLLIRTGGEQRVSNFLLWQLAY
TEFYFTNTLFPDFGEEDLKEAIMNFQQRHRRFG

Ligand information

• Ligand ID: DST
• InChI: InChI=1S/C5H12O6P2S/c1-5(2)3-4-14-13(9,10)11-12(6,7)8/h3H,4H2,1-2H3,(H,9,10)(H2,6,7,8)
• InChIKey: ZWFWSISPSBLNGO-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: CC(=CCSP(=O)(O)OP(=O)(O)O)C
  OpenEye OEToolkits 2.0.7: CC(=CCS[P@@](=O)(O)OP(=O)(O)O)C
  ACDLabs 12.01: OP(O)(=O)OP(O)(=O)SC\C=C(\C)C
  CACTVS 3.385: CC(C)=CCS[P](O)(=O)O[P](O)(O)=O
• Formula: C5 H12 O6 P2 S
• Name: DIMETHYLALLYL S-THIOLODIPHOSPHATE;
  DMASPP;
  DMAPP;
  DMADP;
  Dimethylallyl pyrophosphate;
  dimethylallyl diphosphate;
  isoprenyl pyrophosphate
• PDB chain: 8x37 Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8x37 Structural-Functional Correlations between Unique N-terminal Region and C-terminal Conserved Motif in Short-chain cis-Prenyltransferase from Tomato.
• Resolution: 1.98 Å
• Binding residue (original residue number in PDB): M85 D86 G87 N88 R89 R90 A129 R137
• Binding residue (residue number reindexed from 1): M19 D20 G21 N22 R23 R24 A63 R71
• Annotation score: 2

Enzymatic activity

• Enzyme Commision number: 2.5.1.28: dimethylallylcistransferase.

Gene Ontology

Molecular Function

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

External links

• PDB: RCSB:8x37, PDBe:8x37, PDBj:8x37
• PDBsum: 8x37
• PubMed: 38225831
• UniProt: C1K5M2|CPT1_SOLLC Dimethylallylcistransferase CPT1, chloroplastic (Gene Name=CPT1)