› 4k8d

X-ray diffraction
1.86Å resolution

Crystal structure of the C558(464)A/C559(465)A double mutant of Tn501 MerA in complex with NADPH and Hg2+

Released:
DOI: 10.2210/pdb4k8d/pdb
PDB entry 4k8d coloured by chain, front view.
PDB entry 4k8d coloured by chain, side view.
PDB entry 4k8d coloured by chain, top view.
Source organism: Pseudomonas aeruginosa
Entry authors: Dong A, Falkowski M, Malone M, Miller SM, Pai EF

Function and Biology Details

Reaction catalysed: 
Hg + NADP(+) + H(+) = Hg(2+) + NADPH
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-132464 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Mercuric reductase Chain: A
Molecule details ›
Chain: A
Length: 467 amino acids
Theoretical weight: 49.16 KDa
Source organism: Pseudomonas aeruginosa
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P00392 (Residues: 96-561; Coverage: 83%)
Gene name: merA
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand NDP 1 x NDP

Cofactor: Ligand FAD 1 x FAD
3 bound ligands:
Ligand SO4 2 x SO4
Ligand GOL 1 x GOL
Ligand UNX 18 x UNX
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 14-BM-C
Spacegroup: P43212
Unit cell:
a: 86.922Å b: 86.922Å c: 137.19Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.168 0.167 0.203
Expression system: Escherichia coli BL21(DE3)

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