› 7akq

X-ray diffraction
2.32Å resolution

Structure of D169A/E171A double mutant of chitinase Chit42 from Trichoderma harzianum complexed with chitintetraose obtained by soaking.

Released:
DOI: 10.2210/pdb7akq/pdb
PDB entry 7akq coloured by chain, front view.
PDB entry 7akq coloured by chain, side view.
PDB entry 7akq coloured by chain, top view.
Source organism: Trichoderma harzianum
Primary publication:
Structural inspection and protein motions modelling of a fungal glycoside hydrolase family 18 chitinase by crystallography depicts a dynamic enzymatic mechanism
Jimenez-Ortega E, Kidibule PE, Fernandez-Lobato M, Sanz-Aparicio J
Comput Struct Biotechnol J 19 5466-5478 (2021)

Function and Biology Details

Reaction catalysed: 
Random endo-hydrolysis of N-acetyl-beta-D-glucosaminide (1->4)-beta-linkages in chitin and chitodextrins
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-155817 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (3 distinct):
Endochitinase 42 Chain: A
Molecule details ›
Chain: A
Length: 423 amino acids
Theoretical weight: 45.97 KDa
Source organism: Trichoderma harzianum
Expression system: Komagataella phaffii GS115
UniProt:
  • Canonical: P48827 (Residues: 1-423; Coverage: 100%)
Gene name: chit42
Sequence domains: Glycosyl hydrolases family 18

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
2 bound ligands:
Ligand ACT 1 x ACT
Ligand ZN 5 x ZN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALBA BEAMLINE XALOC
Spacegroup: P41212
Unit cell:
a: 68.111Å b: 68.111Å c: 176.639Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.198 0.195 0.244
Expression system: Komagataella phaffii GS115

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