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PDBsum entry 3mi5

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protein ligands metals Protein-protein interface(s) links
Oxidoreductase PDB id
3mi5
Jmol
Contents
Protein chains
(+ 0 more) 200 a.a.
(+ 0 more) 238 a.a.
Ligands
SO4 ×12
BME ×25
GOL ×42
CAQ ×12
Metals
_CL ×5
_FE ×6
Waters ×2325
PDB id:
3mi5
Name: Oxidoreductase
Title: Axial ligand swapping in double mutant maintains intradiol-c chemistry in protocatechuate 3,4-dioxygenase
Structure: Protocatechuate 3,4-dioxygenase alpha chain. Chain: a, b, c, d, e, f. Synonym: 3,4-pcd. Engineered: yes. Protocatechuate 3,4-dioxygenase beta chain. Chain: m, n, o, p, q, r. Synonym: 3,4-pcd. Engineered: yes. Mutation: yes
Source: Pseudomonas putida. Organism_taxid: 303. Strain: p. Putida. Gene: pcag. Expressed in: escherichia coli. Expression_system_taxid: 469008. Gene: pcah.
Resolution:
1.78Å     R-factor:   0.153     R-free:   0.185
Authors: V.M.Purpero,J.D.Lipscomb
Key ref: V.M.Purpero and j.d.lipscomb Axial ligand swapping in double mutant maintains intradiol-Cleavage chemistry in protocatechuate 3,4-Dioxygenase. To be published, .
Date:
09-Apr-10     Release date:   27-Apr-11    
PROCHECK
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 Headers
 References

Protein chains
Pfam   ArchSchema ?
P00436  (PCXA_PSEPU) -  Protocatechuate 3,4-dioxygenase alpha chain
Seq:
Struc:
201 a.a.
200 a.a.
Protein chains
Pfam   ArchSchema ?
P00437  (PCXB_PSEPU) -  Protocatechuate 3,4-dioxygenase beta chain
Seq:
Struc:
239 a.a.
238 a.a.*
Key:    PfamA domain  Secondary structure  CATH domain
* PDB and UniProt seqs differ at 2 residue positions (black crosses)

 Enzyme reactions 
   Enzyme class: Chains A, M, B, N, C, O, D, P, E, Q, F, R: 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 72.73% similarity
+ O(2)
= 3-carboxy-cis,cis-muconate
      Cofactor: Fe cation
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     8 terms