› 4qs6

X-ray diffraction
1.76Å resolution

CRYSTAL STRUCTURE of 5-CARBOXYVANILLATE DECARBOXYLASE LIGW2 FROM NOVOSPHINGOBIUM AROMATICIVORANS DSM 12444 (TARGET EFI-505250) WITH BOUND 4-HYDROXY-3-METHOXY-5-NITROBENZOIC ACID, NO METAL, THE D314N MUTANT

Released:
DOI: 10.2210/pdb4qs6/pdb
PDB entry 4qs6 coloured by chain, front view.
PDB entry 4qs6 coloured by chain, side view.
PDB entry 4qs6 coloured by chain, top view.
Source organism: Novosphingobium aromaticivorans DSM 12444
Entry authors: Patskovsky Y, Vladimirova A, Toro R, Bhosle R, Gerlt JA, Raushel FM, Almo SC

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-173578 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Amidohydrolase-related domain-containing protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 373 amino acids
Theoretical weight: 42.46 KDa
Source organism: Novosphingobium aromaticivorans DSM 12444
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q2GA79 (Residues: 1-351; Coverage: 100%)
Gene name: Saro_0799
Sequence domains: Amidohydrolase
Structure domains: Metal-dependent hydrolases

Ligands and Environments

3 bound ligands:
Ligand GOL 3 x GOL
Ligand CL 2 x CL
Ligand 1DF 2 x 1DF
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X29A
Spacegroup: P212121
Unit cell:
a: 60.422Å b: 85.396Å c: 141.616Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.163 0.162 0.205
Expression system: Escherichia coli BL21(DE3)

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