› 6zbw

X-ray diffraction
1.4Å resolution

Structure of the D125N mutant of the catalytic domain of the Bacillus circulans alpha-1,6 Mannanase in complex with an alpha-1,6-alpha-manno-cyclophellitol trisaccharide inhibitor

Released:
DOI: 10.2210/pdb6zbw/pdb
PDB entry 6zbw coloured by chain, front view.
PDB entry 6zbw coloured by chain, side view.
PDB entry 6zbw coloured by chain, top view.
Source organism: Niallia circulans
Primary publication:
Development of Non-Hydrolysable Oligosaccharide Activity-Based Inactivators for Endoglycanases: A Case Study on α-1,6 Mannanases.
Schröder SP, Offen WA, Males A, Jin Y, de Boer C, Enotarpi J, Marino L, van der Marel GA, Florea BI, Codée JDC, Overkleeft HS, Davies GJ
OpenAccess logo Chemistry 27 9519-9523 (2021)
PMID: 33878235

Function and Biology Details

Reaction catalysed: 
Random hydrolysis of (1->6)-alpha-D-mannosidic linkages in unbranched (1->6)-mannans
Biochemical function:
  • not assigned
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-105585 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Endo-alpha-1,6-D-mannanase Chains: A, B
Molecule details ›
Chains: A, B
Length: 362 amino acids
Theoretical weight: 40.93 KDa
Source organism: Niallia circulans
Expression system: Escherichia coli
UniProt:
  • Canonical: A0A6B9HEB8 (Residues: 35-375; Coverage: 32%)
Gene name: enm
Sequence domains: Glycosyl hydrolase family 76

Ligands and Environments

Carbohydrate polymer : NEW Components: MAN
Carbohydrate polymer
2 bound ligands:
Ligand PBW 2 x PBW
Ligand EDO 8 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: P21
Unit cell:
a: 43.861Å b: 66.422Å c: 98.892Å
α: 90° β: 100.13° γ: 90°
R-values:
R R work R free
0.156 0.154 0.206
Expression system: Escherichia coli

Quick links

Citations

1 mention without citation

Development of Non-Hydrolysable Oligosaccharide Activity-Based Inactivators for Endoglycanases: A Case Study on α-1,6 Mannanases.
Schröder et al. (2021)