PDBsum entry 2bv0

Oxidoreductase

PDB id: 2bv0

Contents

Protein chains

202 a.a. *

238 a.a. *

Ligands

DHB

Metals

_FE

Waters ×242

* Residue conservation analysis

PDB id:

2bv0

Name:

Oxidoreductase

Title:

Crystal structure of protocatechuate 3,4-dioxygenase from acinetobacter sp. Adp1 mutant r133h in complex with protocatechuate.

Structure:

Protocatechuate 3,4-dioxygenase alpha chain. Chain: a. Synonym: protocatechuate 3,4-dioxygenase, 3,4-pcd. Engineered: yes. Mutation: yes. Protocatechuate 3,4-dioxygenase beta chain. Chain: b. Synonym: protocatechuate 3,4-dioxygenase, 3,4-pcd. Engineered: yes

Source:

Acinetobacter calcoaceticus. Organism_taxid: 62977. Strain: adp1. Expressed in: escherichia coli. Expression_system_taxid: 562.

Biol. unit:

24mer (from PDB file)

Resolution:

1.80Å R-factor: 0.167 R-free: 0.192

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

Protein chain

P20371  (PCXA_ACIAD) -  Protocatechuate 3,4-dioxygenase alpha chain from Acinetobacter baylyi (strain ATCC 33305 / BD413 / ADP1)

Seq: 209 a.a.

Struc: 202 a.a.*

Protein chain

P20372  (PCXB_ACIAD) -  Protocatechuate 3,4-dioxygenase beta chain from Acinetobacter baylyi (strain ATCC 33305 / BD413 / ADP1)

Seq: 241 a.a.

Struc: 238 a.a.

* 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.
• Pathway: Benzoate Metabolism
• Reaction: 3,4-dihydroxybenzoate + O2 = 3-carboxy-cis,cis-muconate + 2 H⁺

3,4-dihydroxybenzoate (Bound ligand (Het Group name = DHB) corresponds exactly) + O2 = 3-carboxy-cis,cis-muconate + 2 × H(+)

• Cofactor: Fe cation

Molecule diagrams generated from .mol files obtained from the KEGG ftp site