› 6zy1

X-ray diffraction
1.99Å resolution

Catabolic reductive dehalogenase NpRdhA, N-terminally tagged in complex with 3-bromo-4-hydroxybenzoic acid

Released:
DOI: 10.2210/pdb6zy1/pdb
PDB 6zy1 coloured by chain and viewed from the front.
PDB 6zy1 coloured by chain and viewed from the side.
PDB 6zy1 coloured by chain and viewed from the top.
Source organism: Nitratireductor pacificus pht-3B
Primary publication:
Catabolic Reductive Dehalogenase Substrate Complex Structures Underpin Rational Repurposing of Substrate Scope.
Halliwell T, Fisher K, Payne KAP, Rigby SEJ, Leys D
Microorganisms 8 (2020)
PMID: 32887524

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
4Fe-4S ferredoxin-type domain-containing protein Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 725 amino acids
Theoretical weight: 79.72 KDa
Source organism: Nitratireductor pacificus pht-3B
Expression system: Priestia megaterium
UniProt:
  • Canonical: K2MB66 (Residues: 1-698; Coverage: 100%)
Gene name: NA2_14372
Sequence domains:

Ligands and Environments

4 bound ligands:
Ligand SF4 6 x SF4
Ligand B12 3 x B12
Ligand NA 3 x NA
Ligand QSB 3 x QSB
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: C2
Unit cell:
a: 175.871Å b: 170.104Å c: 107.651Å
α: 90° β: 98.35° γ: 90°
R-values:
R R work R free
0.177 0.177 0.211
Expression system: Priestia megaterium

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