› 8dq7

X-ray diffraction
2.1Å resolution

The structure of NicA2 variant F104L/A107T/S146I/G317D/H368R/L449V/N462S from Pseudomonas putida

Released:
DOI: 10.2210/pdb8dq7/pdb
PDB entry 8dq7 coloured by chain, front view.
PDB entry 8dq7 coloured by chain, side view.
PDB entry 8dq7 coloured by chain, top view.
Source organism: Pseudomonas putida S16
Primary publication:
Directed evolution unlocks oxygen reactivity for a nicotine-degrading flavoenzyme.
Dulchavsky M, Mitra R, Wu K, Li J, Boer K, Liu X, Zhang Z, Vasquez C, Clark CT, Funckes K, Shankar K, Bonnet-Zahedi S, Siddiq M, Sepulveda Y, Suhandynata RT, Momper JD, Calabrese AN, George O, Stull F, Bardwell JCA
OpenAccess logo Nat Chem Biol (2023)
PMID: 37770699

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-123702 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Nicotine dehydrogenase Chains: A, B
Molecule details ›
Chains: A, B
Length: 432 amino acids
Theoretical weight: 47.68 KDa
Source organism: Pseudomonas putida S16
Expression system: Escherichia coli
UniProt:
  • Canonical: F8G0P2 (Residues: 51-482; Coverage: 97%)
Gene names: PPS_4081, nicA2
Sequence domains: Flavin containing amine oxidoreductase

Ligands and Environments

1 bound ligand:
Ligand FDA 2 x FDA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-G
Spacegroup: P43
Unit cell:
a: 85.51Å b: 85.51Å c: 122.39Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.153 0.151 0.2
Expression system: Escherichia coli

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