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PDBsum entry 2buy

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protein ligands metals Protein-protein interface(s) links
Oxidoreductase PDB id
2buy
Jmol
Contents
Protein chains
202 a.a. *
238 a.a. *
Ligands
CAQ ×2
Metals
_FE
Waters ×228
* Residue conservation analysis
PDB id:
2buy
Name: Oxidoreductase
Title: Crystal structure of protocatechuate 3,4-dioxygenase from acinetobacter sp. Adp1 mutant r133h in complex with catechol
Structure: Protocatechuate 3,4-dioxygenase alpha chain. Chain: a. Synonym: protocatechuate 3,4-dioxygenase, 3,4-pcd. Engineered: yes. Protocatechuate 3,4-dioxygenase beta chain. Chain: b. Synonym: protocatechuate 3,4-dioxygenase, 3,4-pcd. Engineered: yes. Mutation: yes
Source: Acinetobacter calcoaceticus. Organism_taxid: 62977. Strain: adp1. Expressed in: escherichia coli. Expression_system_taxid: 562.
Biol. unit: 24mer (from PDB file)
Resolution:
1.8Å     R-factor:   0.175     R-free:   0.209
Authors: M.W.Vetting,M.P.Valley,D.A.D'Argenio,L.N.Ornston, J.D.Lipscomb,D.H.Ohlendorf
Key ref: M.W.Vetting Crystallgraphic studies of intradiol dioxygenases.. Ph d thesis, .
Date:
20-Jun-05     Release date:   26-Oct-06    
PROCHECK
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 Headers
 References

Protein chain
Pfam   ArchSchema ?
P20371  (PCXA_ACIAD) -  Protocatechuate 3,4-dioxygenase alpha chain
Seq:
Struc:
209 a.a.
202 a.a.*
Protein chain
Pfam   ArchSchema ?
P20372  (PCXB_ACIAD) -  Protocatechuate 3,4-dioxygenase beta chain
Seq:
Struc:
241 a.a.
238 a.a.
Key:    PfamA domain  Secondary structure  CATH domain
* PDB and UniProt seqs differ at 1 residue position (black cross)

 Enzyme reactions 
   Enzyme class: Chains A, B: E.C.1.13.11.3  - Protocatechuate 3,4-dioxygenase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]

      Pathway:
Benzoate Metabolism
      Reaction: 3,4-dihydroxybenzoate + O2 = 3-carboxy-cis,cis-muconate
3,4-dihydroxybenzoate
Bound ligand (Het Group name = CAQ)
matches with 72.00% similarity
+ O(2)
= 3-carboxy-cis,cis-muconate
      Cofactor: Iron
Molecule diagrams generated from .mol files obtained from the KEGG ftp site
 Gene Ontology (GO) functional annotation 
  GO annot!
  Biological process     oxidation-reduction process   5 terms 
  Biochemical function     catalytic activity     9 terms