Structure of PDB 3stx Chain B Binding Site BS01

Receptor Information

>3stx Chain B (length=257)

SPFVKKHFVLVHTAFHGAWCWYKIVALMRSSGHNVTALDLGASGINPKQA
LQIPNFSDYLSPLMEFMASLPANEKIILVGHALGGLAISKAMETFPEKIS
VAVFLSGLMPGPNIDATTVCTKAGSAVLGQLDNCVTYENGPTNPPTTLIA
GPKFLATNVYHLSPIEDLALATALVRPLYLYLAEDISKEVVLSSKRYGSV
KRVFIVATENKKEFLKLMIEKNPPDEVKEIEGSDAVTMMSKPQQLFTTLL
SIANKYK

Ligand information

• Ligand ID: BKA
• InChI: InChI=1S/C7H12O3/c1-2-3-4-6(8)5-7(9)10/h2-5H2,1H3,(H,9,10)
• InChIKey: PRRBQHNMYJRHFW-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04: O=C(CCCC)CC(=O)O
  CACTVS 3.341: CCCCC(=O)CC(O)=O
  OpenEye OEToolkits 1.5.0: CCCCC(=O)CC(=O)O
• Formula: C7 H12 O3
• Name: 3-oxoheptanoic acid
• ZINC: ZINC000005819871
• PDB chain: 3stx Chain B Residue 266

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3stx Emergent Decarboxylase Activity and Attenuation of alpha/beta-Hydrolase Activity during the Evolution of Methylketone Biosynthesis in Tomato.
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): T18 A128
• Binding residue (residue number reindexed from 1): T13 A123
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): T18 A87 L88 N215 A243 V244
• Catalytic site (residue number reindexed from 1): T13 A82 L83 N210 A235 V236

Gene Ontology

Molecular Function

• GO:0080030 methyl indole-3-acetate esterase activity
• GO:0080031 methyl salicylate esterase activity
• GO:0080032 methyl jasmonate esterase activity

Biological Process

• GO:0009694 jasmonic acid metabolic process
• GO:0009696 salicylic acid metabolic process

External links

• PDB: RCSB:3stx, PDBe:3stx, PDBj:3stx
• PDBsum: 3stx
• PubMed: 22523203
• UniProt: E0YCS2