› 6r3w

X-ray diffraction
1.2Å resolution

M.tuberculosis nitrobindin with a water molecule coordinated to the heme iron atom

Released:
DOI: 10.2210/pdb6r3w/pdb
PDB entry 6r3w coloured by chain, front view.
PDB entry 6r3w coloured by chain, side view.
PDB entry 6r3w coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Primary publication:
Mycobacterial and Human Nitrobindins: Structure and Function.
De Simone G, di Masi A, Vita GM, Polticelli F, Pesce A, Nardini M, Bolognesi M, Ciaccio C, Coletta M, Turilli ES, Fasano M, Tognaccini L, Smulevich G, Abbruzzetti S, Viappiani C, Bruno S, Ascenzi P
Antioxid Redox Signal 33 229-246 (2020)
PMID: 32295384

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161412 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Peroxynitrite isomerase 1 Chain: A
Molecule details ›
Chain: A
Length: 172 amino acids
Theoretical weight: 18.94 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli-Pichia pastoris shuttle vector pPpARG4
UniProt:
  • Canonical: P9WFG7 (Residues: 1-164; Coverage: 100%)
Gene name: Rv2717c
Sequence domains: THAP4-like, heme-binding beta-barrel domain

Ligands and Environments

1 bound ligand:
Ligand HEM 1 x HEM
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-2
Spacegroup: I222
Unit cell:
a: 60.782Å b: 74.295Å c: 80.339Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.142 0.14 0.176
Expression system: Escherichia coli-Pichia pastoris shuttle vector pPpARG4

Quick links

Citations

2 review citations

Structural and (Pseudo-)Enzymatic Properties of Neuroglobin: Its Possible Role in Neuroprotection.
De Simone et al. (2021)
1 more

1 mention without citation

Ligand-Based Regulation of Dynamics and Reactivity of Hemoproteins.
Turilli-Ghisolfi et al. (2023)