› 4rr1

X-ray diffraction
2.3Å resolution

re-refinement of entry 1sot, Crystal Structure of the DegS stress sensor

Released:
DOI: 10.2210/pdb4rr1/pdb
PDB entry 4rr1 coloured by chain, front view.
PDB entry 4rr1 coloured by chain, side view.
PDB entry 4rr1 coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
A conserved activation cluster is required for allosteric communication in HtrA-family proteases.
de Regt AK, Kim S, Sohn J, Grant RA, Baker TA, Sauer RT
Structure 23 517-526 (2015)
PMID: 25703375

Function and Biology Details

Reaction catalysed: 
Acts on substrates that are at least partially unfolded. The cleavage site P1 residue is normally between a pair of hydrophobic residues, such as Val-|-Val
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-142438 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine endoprotease DegS Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 320 amino acids
Theoretical weight: 34.35 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli
UniProt:
  • Canonical: P0AEE3 (Residues: 43-355; Coverage: 88%)
Gene names: JW3204, b3235, degS, hhoB, htrH
Sequence domains:

Ligands and Environments

2 bound ligands:
Ligand PO4 1 x PO4
Ligand NI 1 x NI
1 modified residue:
Ligand MSE 18 x MSE

Experiments and Validation Details

Entry percentile scores
Spacegroup: C2
Unit cell:
a: 207.68Å b: 143.06Å c: 41.53Å
α: 90° β: 90.07° γ: 90°
R-values:
R R work R free
0.186 0.184 0.217
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Allostery: Allosteric Cancer Drivers and Innovative Allosteric Drugs.
Nussinov et al. (2022)
17 other articles

2 mentions without citation

A conserved activation cluster is required for allosteric communication in HtrA-family proteases.
de Regt et al. (2015)
1 more