› 4hwx

X-ray diffraction
1.9Å resolution

Crystal structure of Streptomyces caespitosus sermetstatin

Released:
DOI: 10.2210/pdb4hwx/pdb
PDB entry 4hwx coloured by chain, front view.
PDB entry 4hwx coloured by chain, side view.
PDB entry 4hwx coloured by chain, top view.
Source organism: Streptomyces caespitosus
Primary publication:
Mechanism of action of a Janus-faced single-domain protein inhibitor simultaneously targeting two peptidase classes
Trillo-Muyo S, Martinez-Rodriguez S, Arolas JL, Gomis-Ruth FX
Chem Sci 4 791-797 (2013)

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-190303 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Subtilisin inhibitor domain-containing protein Chain: A
Molecule details ›
Chain: A
Length: 114 amino acids
Theoretical weight: 11.92 KDa
Source organism: Streptomyces caespitosus
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9FDS0 (Residues: 29-141; Coverage: 97%)
Gene name: ScNPI
Sequence domains: Subtilisin inhibitor-like
Structure domains: Subtilisin inhibitor-like

Ligands and Environments

2 bound ligands:
Ligand GOL 1 x GOL
Ligand ACT 3 x ACT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-2
Spacegroup: P3121
Unit cell:
a: 71.04Å b: 71.04Å c: 52.4Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.187 0.187 0.214
Expression system: Escherichia coli

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