› 6d0p

X-ray diffraction
1.88Å resolution

1.88 Angstrom Resolution Crystal Structure of Quercetin 2,3-dioxygenase from Acinetobacter baumannii

Released:
DOI: 10.2210/pdb6d0p/pdb
PDB entry 6d0p coloured by chain, front view.
PDB entry 6d0p coloured by chain, side view.
PDB entry 6d0p coloured by chain, top view.
Source organism: Acinetobacter baumannii
Entry authors: Minasov G, Shuvalova L, Brunzelle JS, Dubrovska I, Kiryukhina O, Endres M, Anderson WF, Satchell KJF, Joachimiak A, Center for Structural Genomics of Infectious Diseases (CSGID)

Function and Biology Details

Reaction catalysed: 
Quercetin + O(2) = 2-(3,4-dihydroxybenzoyloxy)-4,6-dihydroxybenzoate + CO + H(+)
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-101041 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Quercetin 2,3-dioxygenase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 293 amino acids
Theoretical weight: 32.48 KDa
Source organism: Acinetobacter baumannii
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A0A0C0C2K2 (Residues: 1-290; Coverage: 100%)
Gene names: ABR2091_3475, APD17_19305, AUO97_05435, B9X95_09530, CV954_001130, DOL94_13270, GSE42_18995, IMO23_17015, ITE13_04025, P9867_02070
Sequence domains:
Structure domains: Jelly Rolls

Ligands and Environments

8 bound ligands:
Ligand MG 2 x MG
Ligand MN 4 x MN
Ligand PEG 4 x PEG
Ligand PG4 3 x PG4
Ligand CL 2 x CL
Ligand EDO 1 x EDO
Ligand GOL 2 x GOL
Ligand PGE 1 x PGE
1 modified residue:
Ligand MSE 32 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: C2
Unit cell:
a: 95.481Å b: 131.977Å c: 123.987Å
α: 90° β: 103.58° γ: 90°
R-values:
R R work R free
0.16 0.158 0.19
Expression system: Escherichia coli BL21(DE3)

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