Structure of PDB 2ze6 Chain A Binding Site BS01

Receptor Information

>2ze6 Chain A (length=227) Species: 358 (Agrobacterium tumefaciens)

MLLHLIYGPTCSGKTDMAIQIAQETGWPVVALDRVQCCPQIATGSGRPLE
SELQSTRRIYLDSRPLTEGILDAESAHRRLIFEVDWRKSEEGLILEGGSI
SLLNCMAKSPFWRSGFQWHVKRLRLGDSDAFLTRAKQRVAEMFAIREDRP
SLLEELAELWNYPAARPILEDIDGYRCAIRFARKHDLAISQLPNIDAGRH
VELIEAIANEYLEHALSQERDFPQWPE

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: 2ze6 Chain A Residue 400

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2ze6 Structural insight into the reaction mechanism and evolution of cytokinin biosynthesis.
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): T10 C11 S12 G13 K14 T15 S45 R138 Y211
• Binding residue (residue number reindexed from 1): T10 C11 S12 G13 K14 T15 S45 R138 Y211
• Annotation score: 2

Enzymatic activity

• Enzyme Commision number: 2.5.1.27: adenylate dimethylallyltransferase (AMP-dependent).

Gene Ontology

Molecular Function

• GO:0005515 protein binding
• GO:0009824 AMP dimethylallyltransferase activity
• GO:0016740 transferase activity

Biological Process

• GO:0009691 cytokinin biosynthetic process

External links

• PDB: RCSB:2ze6, PDBe:2ze6, PDBj:2ze6
• PDBsum: 2ze6
• PubMed: 18258747
• UniProt: P58758|IPTZ_AGRFC Adenylate dimethylallyltransferase (Gene Name=tzs)