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Solution NMR

Solution structure of Iron-Sulfur cluster assembly protein IscU from Bacillus subtilis, with Zinc bound at the active site. Northeast Structural Genomics Consortium Target SR17

Released:
DOI: 10.2210/pdb1xjs/pdb
PDB entry 1xjs coloured by chain, ensemble of 10 models, front view.
PDB entry 1xjs coloured by chain, ensemble of 10 models, side view.
PDB entry 1xjs coloured by chain, ensemble of 10 models, top view.
Source organism: Bacillus subtilis
Entry authors: Kornhaber GJ, Swapna GVT, Ramelot TA, Cort JR, Kennedy MA, Montelione GT, Northeast Structural Genomics Consortium (NESG)

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domain:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-128423 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Zinc-dependent sulfurtransferase SufU Chain: A
Molecule details ›
Chain: A
Length: 147 amino acids
Theoretical weight: 16.19 KDa
Source organism: Bacillus subtilis
Expression system: Escherichia coli
UniProt:
  • Canonical: O32163 (Residues: 1-147; Coverage: 100%)
Gene names: BSU32680, iscU, nifU, sufU, yurV
Sequence domains: NifU-like N terminal domain
Structure domains: Sufe protein. Chain: A

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
Refinement method: Minimal constraint structure contained 492 conformationally restricting NOE-derived distance constraints, 108 hydrogen bond constraints, and 197 dihedral angle constraints. This resulted in 5.9 constraints per residue and 1.2 long range constraints per residue. Structure determination was performed with the following steps: AutoStructure-Dyana was used to identify distance constraints. These distance constraints were used as input into a Simulated Annealing with Xplor-NIH. The top ten structures were energy minimized with water using CNS.
Expression system: Escherichia coli

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