› 3mfa

X-ray diffraction
1.63Å resolution

Computationally designed endo-1,4-beta-xylanase

Released:
DOI: 10.2210/pdb3mfa/pdb
PDB entry 3mfa coloured by chain, front view.
PDB entry 3mfa coloured by chain, side view.
PDB entry 3mfa coloured by chain, top view.
Source organism: Thermopolyspora flexuosa
Primary publication:
Computational design of an endo-1,4-beta-xylanase ligand binding site.
Morin A, Kaufmann KW, Fortenberry C, Harp JM, Mizoue LS, Meiler J
Protein Eng Des Sel 24 503-16 (2011)
PMID: 21349882

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-184541 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Endo-1,4-beta-xylanase Chain: A
Molecule details ›
Chain: A
Length: 194 amino acids
Theoretical weight: 21.35 KDa
Source organism: Thermopolyspora flexuosa
Expression system: Escherichia coli
UniProt:
  • Canonical: Q8GMV7 (Residues: 44-235; Coverage: 64%)
Gene names: FHX40_0105, xyn11A
Sequence domains: Glycosyl hydrolases family 11
Structure domains: Jelly Rolls

Ligands and Environments

1 bound ligand:
Ligand SO4 2 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BRUKER AXS MICROSTAR
Spacegroup: P3121
Unit cell:
a: 63.881Å b: 63.881Å c: 106.602Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.154 0.151 0.201
Expression system: Escherichia coli

Quick links

Citations

3 review citations

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

2 mentions without citation

Computational design of an endo-1,4-beta-xylanase ligand binding site.
Morin et al. (2011)
1 more