PDBsum entry 2jwx

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Apoptosis, isomerase PDB id
Protein chain
157 a.a.

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Key reference
Title Structure, Function, And mechanism of the phenylacetate pathway hot dog-Fold thioesterase paai.
Authors F.Song, Z.Zhuang, L.Finci, D.Dunaway-Mariano, R.Kniewel, J.A.Buglino, V.Solorzano, J.Wu, C.D.Lima.
Ref. J Biol Chem, 2006, 281, 11028-11038. [DOI no: 10.1074/jbc.M513896200]
PubMed id 16464851
The structure and biochemical function of the hot dog-fold thioesterase PaaI operative in the aerobic phenylacetate degradation pathway are examined. PaaI showed modest activity with phenylacetyl-coenzyme A, suggestive of a role in coenzyme A release from this pathway intermediate in the event of limiting downstream pathway enzymes. Minimal activity was observed with aliphatic acyl-coenzyme A thioesters, which ruled out PaaI function in the lower phenylacetate pathway. PaaI was most active with ring-hydroxylated phenylacetyl-coenzyme A thioesters. The x-ray crystal structure of the Escherichia coli thioesterase is reported and analyzed to define the structural basis of substrate recognition and catalysis. The contributions of catalytic and substrate binding residues, thus, identified were examined through steady-state kinetic analysis of site-directed mutant proteins.
Figure 1.
FIGURE 1. The outline of a model of the phenylacetate pathway common to E. coli and A. evansii. 2-Hydroxyphenylacetate is isolated from the mutant lacking an active ring-opening enzyme (PaaG).
Figure 6.
FIGURE 6. Electrostatic surface picture illustrating the solvent exposure of E. coli PaaI active site. The active site is identified by the 4-hydroxyphenacyl-CoA ligand (yellow), which was positioned by superpositioning the PaaI structure with the structure of the Arthrobacter 4-HBA-CoA thioesterase (4-hydroxyphenacyl-CoA) complex (PDB code 1Q4T [PDB] ) (40). The picture was generated using the graphics program Pymol (69).
The above figures are reprinted by permission from the ASBMB: J Biol Chem (2006, 281, 11028-11038) copyright 2006.
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