› 7k4w

X-ray diffraction
1.9Å resolution

Crystal structure of Kemp Eliminase HG3.17 in the inactive state

Released:
DOI: 10.2210/pdb7k4w/pdb
PDB entry 7k4w coloured by chain, front view.
PDB entry 7k4w coloured by chain, side view.
PDB entry 7k4w coloured by chain, top view.
Source organism: Thermoascus aurantiacus
Primary publication:
How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Otten R, Pádua RAP, Bunzel HA, Nguyen V, Pitsawong W, Patterson M, Sui S, Perry SL, Cohen AE, Hilvert D, Kern D
Science 370 1442-1446 (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
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-149932 (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: 33.19 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

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

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.1
Spacegroup: P212121
Unit cell:
a: 61.39Å b: 67.39Å c: 74.7Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.214 0.21 0.255
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

11 review citations

The road to fully programmable protein catalysis.
Lovelock et al. (2022)
10 more

1 mention without citation

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