Structure of PDB 5hxt Chain A Binding Site BS01

Receptor Information

>5hxt Chain A (length=221) Species: 62890 (Solanum habrochaites)

LMPKHIALIMDGNRRWAKDKGLDVSEGYKHLFPKLKEICDISSKLGIQVI
TAFAFSTENWKRAKGEVDFLMQMFEELYDEFSRSGVRVSIIGCKTDLPMT
LQKCIALTEETTKGNKGLHLVIALNYGGYYDILQATKSIVNKAMNGLLDV
EDINKNLFDQELESKCPNPDLLIRTGGDQRVSNFLLWQLAYTEFYFTKTL
FPDFGEEDLKEAIINFQQRHR

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: 5hxt Chain A Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5hxt Crystal Structure and Potential Head-to-Middle Condensation Function of a Z,Z-Farnesyl Diphosphate Synthase
• Resolution: 2.15 Å
• Binding residue (original residue number in PDB): D86 G87 N88 R89 R90 Y103 A129 N134 R137
• Binding residue (residue number reindexed from 1): D11 G12 N13 R14 R15 Y28 A54 N59 R62
• Annotation score: 2

Enzymatic activity

• Catalytic site (original residue number in PDB): D86 Y103 L193
• Catalytic site (residue number reindexed from 1): D11 Y28 L118
• Enzyme Commision number: 2.5.1.92: (2Z,6Z)-farnesyl diphosphate synthase.

Gene Ontology

Molecular Function

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

External links

• PDB: RCSB:5hxt, PDBe:5hxt, PDBj:5hxt
• PDBsum: 5hxt
• UniProt: B8XA40|ZFPS_SOLHA (2Z,6Z)-farnesyl diphosphate synthase, chloroplastic (Gene Name=ZFPS)