› 4qro

X-ray diffraction
1.65Å resolution

CRYSTAL STRUCTURE of DIHYDROXYBENZOIC ACID DECARBBOXYLASE BPRO_2061 (TARGET EFI-500288) FROM POLAROMONAS SP. JS666 WITH BOUND MANGANESE AND AN INHIBITOR, 2-NITRORESORCINOL

Released:
DOI: 10.2210/pdb4qro/pdb
PDB entry 4qro coloured by chain, front view.
PDB entry 4qro coloured by chain, side view.
PDB entry 4qro coloured by chain, top view.
Source organism: Polaromonas sp. JS666
Entry authors: Patskovsky Y, Vladimirova A, Toro R, Bhosle R, Gerlt JA, Raushel M, Almo SC

Function and Biology Details

Reaction catalysed: 
2,6-dihydroxybenzoate = 1,3-dihydroxybenzene + CO(2)
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-171470 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Gamma-resorcylate decarboxylase Chains: A, B, C, D, E, F, G, H
Molecule details ›
Chains: A, B, C, D, E, F, G, H
Length: 348 amino acids
Theoretical weight: 40.21 KDa
Source organism: Polaromonas sp. JS666
Expression system: Not provided
UniProt:
  • Canonical: Q12BV1 (Residues: 1-326; Coverage: 100%)
Gene name: Bpro_2061
Sequence domains: Amidohydrolase
Structure domains: Metal-dependent hydrolases

Ligands and Environments

5 bound ligands:
Ligand GOL 6 x GOL
Ligand MN 8 x MN
Ligand ACT 11 x ACT
Ligand 38L 8 x 38L
Ligand BCT 1 x BCT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X29A
Spacegroup: P21
Unit cell:
a: 80.958Å b: 151.058Å c: 143.826Å
α: 90° β: 92.15° γ: 90°
R-values:
R R work R free
0.19 0.189 0.223
Expression system: Not provided

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