› 3o2l

X-ray diffraction
2Å resolution

Crystal Structure of an Inactive Kemp Elimination Design HG-1

Released:
DOI: 10.2210/pdb3o2l/pdb
PDB entry 3o2l coloured by chain, front view.
PDB entry 3o2l coloured by chain, side view.
PDB entry 3o2l coloured by chain, top view.
Source organism: Thermoascus aurantiacus
Primary publication:
Iterative approach to computational enzyme design.
Privett HK, Kiss G, Lee TM, Blomberg R, Chica RA, Thomas LM, Hilvert D, Houk KN, Mayo SL
Proc Natl Acad Sci U S A 109 3790-5 (2012)
PMID: 22357762

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: 317 amino acids
Theoretical weight: 34.38 KDa
Source organism: Thermoascus aurantiacus
Expression system: Escherichia coli
UniProt:
  • Canonical: P23360 (Residues: 27-329; Coverage: 100%)
Gene name: XYNA
Sequence domains: Glycosyl hydrolase family 10
Structure domains: Glycosidases

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P212121
Unit cell:
a: 48.288Å b: 72.452Å c: 74.636Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.17 0.167 0.229
Expression system: Escherichia coli

Quick links

Citations

43 review citations

Computational enzyme design.
Kiss et al. (2013)
42 more

1 mention without citation

Iterative approach to computational enzyme design.
Privett et al. (2012)