› 7k4r

X-ray diffraction
1.57Å resolution

Crystal structure of Kemp Eliminase HG3 K50Q

Released:
DOI: 10.2210/pdb7k4r/pdb
PDB 7k4r coloured by chain and viewed from the front.
PDB 7k4r coloured by chain and viewed from the side.
PDB 7k4r coloured by chain and viewed from the top.
Source organism: Thermoascus aurantiacus
Primary publication:
How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Otten R, P��dua RAP, Bunzel HA, Nguyen V, Pitsawong W, Patterson M, Sui S, Perry SL, Cohen AE, Hilvert D, Kern D
Science (2020)
PMID: 33214289

Function and Biology Details

Reaction catalysed: 
Endohydrolysis of (1->4)-beta-D-xylosidic linkages in xylans
Biochemical function:
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Endo-1,4-beta-xylanase Chain: A
Molecule details ›
Chain: A
Length: 308 amino acids
Theoretical weight: 33.2 KDa
Source organism: Thermoascus aurantiacus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P23360 (Residues: 28-329; Coverage: 100%)
Gene name: XYNA
Sequence domains: Glycosyl hydrolase family 10

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.2.1
Spacegroup: P212121
Unit cell:
a: 48.258Å b: 61.002Å c: 81.632Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.17 0.168 0.201
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

Mechanism of activation and the rewired network: New drug design concepts.
Nussinov et al. (2022)
2 more

1 mention without citation

How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Otten et al. (2020)