PDBsum entry 3euo

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Transferase PDB id
Protein chains
379 a.a. *
Waters ×733
* Residue conservation analysis
PDB id:
Name: Transferase
Title: Crystal structure of a fungal type iii polyketide synthase, oras
Structure: Type iii pentaketide synthase. Chain: a, b. Engineered: yes
Source: Neurospora crassa. Organism_taxid: 5141. Gene: ncu04801, ncu04801.1. Expressed in: escherichia coli. Expression_system_taxid: 562
1.75Å     R-factor:   0.181     R-free:   0.209
Authors: H.Zhang,J.S.Brunzelle,S.K.Nair
Key ref: S.B.Rubin-Pitel et al. (2008). Distinct structural elements dictate the specificity of the type III pentaketide synthase from Neurospora crassa. Chem Biol, 15, 1079-1090. PubMed id: 18940668
10-Oct-08     Release date:   04-Nov-08    
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Protein chains
Pfam   ArchSchema ?
Q7S6N4  (Q7S6N4_NEUCR) -  Chalcone synthase
445 a.a.
379 a.a.*
Key:    PfamA domain  Secondary structure  CATH domain
* PDB and UniProt seqs differ at 1 residue position (black cross)

 Gene Ontology (GO) functional annotation 
  GO annot!
  Biological process     metabolic process   2 terms 
  Biochemical function     catalytic activity     3 terms  


Chem Biol 15:1079-1090 (2008)
PubMed id: 18940668  
Distinct structural elements dictate the specificity of the type III pentaketide synthase from Neurospora crassa.
S.B.Rubin-Pitel, H.Zhang, T.Vu, J.S.Brunzelle, H.Zhao, S.K.Nair.
The fungal type III polyketide synthase 2'-oxoalkylresorcylic acid synthase (ORAS) primes with a range of acyl-Coenzyme A thioesters (C4-C20) and extends using malonyl-Coenzyme A to produce pyrones, resorcinols, and resorcylic acids. To gain insight into this unusual substrate specificity and product profile, we have determined the crystal structures of ORAS to 1.75 A resolution, the Phe-252-->Gly site-directed mutant to 2.1 A resolution, and a binary complex of ORAS with eicosanoic acid to 2.0 A resolution. The structures reveal a distinct rearrangement of structural elements near the active site that allows accommodation of long-chain fatty acid esters and a reorientation of the gating mechanism that controls cyclization and polyketide chain length. The roles of these structural elements are further elucidated by characterization of various structure-based site-directed variants. These studies establish an unexpected plasticity to the PKS fold, unanticipated from structural studies of other members of this enzyme family.

Literature references that cite this PDB file's key reference

  PubMed id Reference
20348430 D.Cook, A.M.Rimando, T.E.Clemente, J.Schröder, F.E.Dayan, N.P.Nanayakkara, Z.Pan, B.P.Noonan, M.Fishbein, I.Abe, S.O.Duke, and S.R.Baerson (2010).
Alkylresorcinol synthases expressed in Sorghum bicolor root hairs play an essential role in the biosynthesis of the allelopathic benzoquinone sorgoleone.
  Plant Cell, 22, 867-887.  
21041675 H.Morita, K.Wanibuchi, H.Nii, R.Kato, S.Sugio, and I.Abe (2010).
Structural basis for the one-pot formation of the diarylheptanoid scaffold by curcuminoid synthase from Oryza sativa.
  Proc Natl Acad Sci U S A, 107, 19778-19783.  
20080733 H.Morita, Y.Shimokawa, M.Tanio, R.Kato, H.Noguchi, S.Sugio, T.Kohno, and I.Abe (2010).
A structure-based mechanism for benzalacetone synthase from Rheum palmatum.
  Proc Natl Acad Sci U S A, 107, 669-673.
PDB codes: 3a5q 3a5r 3a5s
20358042 H.Zhou, Y.Li, and Y.Tang (2010).
Cyclization of aromatic polyketides from bacteria and fungi.
  Nat Prod Rep, 27, 839-868.  
20358127 I.Abe, and H.Morita (2010).
Structure and function of the chalcone synthase superfamily of plant type III polyketide synthases.
  Nat Prod Rep, 27, 809-838.  
21193570 S.S.Kim, E.Grienenberger, B.Lallemand, C.C.Colpitts, S.Y.Kim, C.d.e. .A.Souza, P.Geoffroy, D.Heintz, D.Krahn, M.Kaiser, E.Kombrink, T.Heitz, D.Y.Suh, M.Legrand, and C.J.Douglas (2010).
LAP6/POLYKETIDE SYNTHASE A and LAP5/POLYKETIDE SYNTHASE B encode hydroxyalkyl α-pyrone synthases required for pollen development and sporopollenin biosynthesis in Arabidopsis thaliana.
  Plant Cell, 22, 4045-4066.  
19557027 A.Miyanaga, and S.Horinouchi (2009).
Enzymatic synthesis of bis-5-alkylresorcinols by resorcinol-producing type III polyketide synthases.
  J Antibiot (Tokyo), 62, 371-376.  
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