› 4qrn

X-ray diffraction
1.07Å resolution

HIGH-RESOLUTION CRYSTAL STRUCTURE of 5-CARBOXYVANILLATE DECARBOXYLASE (TARGET EFI-505250) FROM NOVOSPHINGOBIUM AROMATICIVORANS DSM 12444 COMPLEXED WITH MANGANESE AND 4-HYDROXY-3-METHOXY-5-NITROBENZOIC ACID

Released:
DOI: 10.2210/pdb4qrn/pdb
PDB entry 4qrn coloured by chain, front view.
PDB entry 4qrn coloured by chain, side view.
PDB entry 4qrn 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, C, D
Molecule details ›
Chains: A, B, C, D
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

5 bound ligands:
Ligand MN 4 x MN
Ligand 1DF 4 x 1DF
Ligand GOL 6 x GOL
Ligand CL 8 x CL
Ligand ACT 1 x ACT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X29A
Spacegroup: P21
Unit cell:
a: 92.723Å b: 60.747Å c: 130.517Å
α: 90° β: 103.33° γ: 90°
R-values:
R R work R free
0.136 0.135 0.155
Expression system: Escherichia coli BL21(DE3)

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