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2.2 Angstrom Resolution Crystal Structure Oxygen-Insensitive NAD(P)H-dependent Nitroreductase NfsB from Vibrio vulnificus in Complex with FMN

X-ray diffraction
2.24Å resolution
PDB entry 6czp coloured by chain, front view.
PDB entry 6czp coloured by chain, side view.
PDB entry 6czp coloured by chain, top view.
Source organism: Vibrio vulnificus
Assembly composition:
homo dimer (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1
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Assembly Name: Nitroreductase domain-containing protein
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Multimeric state: homo dimer
Accessible surface area: 17343.72 Å2
Buried surface area: 9412.23 Å2
Dissociation area: 3,970.66 Å2
Dissociation energy (ΔGdiss): 52.81 kcal/mol
Dissociation entropy (TΔSdiss): 13.99 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-181719
Assembly 2
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Assembly Name: Nitroreductase domain-containing protein
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Multimeric state: homo dimer
Accessible surface area: 17389.21 Å2
Buried surface area: 9963.4 Å2
Dissociation area: 4,146.61 Å2
Dissociation energy (ΔGdiss): 49.22 kcal/mol
Dissociation entropy (TΔSdiss): 14.05 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-181719
Assembly 3
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Assembly Name: Nitroreductase domain-containing protein
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Multimeric state: homo dimer
Accessible surface area: 17359.69 Å2
Buried surface area: 9374.15 Å2
Dissociation area: 3,872.86 Å2
Dissociation energy (ΔGdiss): 54.89 kcal/mol
Dissociation entropy (TΔSdiss): 13.97 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-181719
Assembly 4 (preferred)
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Assembly Name: Nitroreductase domain-containing protein
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Multimeric state: homo dimer
Accessible surface area: 17050.18 Å2
Buried surface area: 10002.25 Å2
Dissociation area: 4,143.52 Å2
Dissociation energy (ΔGdiss): 50.45 kcal/mol
Dissociation entropy (TΔSdiss): 14.04 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-181719

Macromolecules

Nitroreductase domain-containing protein
Chains: A, B, C, D, E, F, G, H
Length: 220 amino acids
Theoretical weight: 24.48 KDa
Source organism: Vibrio vulnificus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q7MCD2 (Residues: 1-217; Coverage: 100%)
Gene name: VVA1455
Pfam: Nitroreductase family
InterPro:
CATH: NADH Oxidase
Nitroreductase domain-containing protein in PDB entry 6czp, assembly 4, front view.
Nitroreductase domain-containing protein in PDB entry 6czp, assembly 4, side view.
Nitroreductase domain-containing protein in PDB entry 6czp, assembly 4, top view.
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