Brand  (β version)

PDB ID: 2A3B

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Ligands
Code Name Style Show Link
SO4 Sulfate ion PoSSuM
CFF Caffeine PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 2A3B   PDBj   RCSB PDB   PDBe
Header : HYDROLASE
Title : Crystal structure of Aspergillus fumigatus chitinase B1 in complex with caffeine
Release Data : 2005-09-27
Compound :
mol_id molecule chains synonym
1 chitinase A,B chitinase B1
ec: 3.2.1.14
Source :
mol_id organism_scientific expression_system
1 Aspergillus fumigatus  (taxid:5085) Escherichia coli BL21(DE3)  (taxid:469008)
expression_system_strain: BL21(DE3)
expression_system_vector_type: plasmid
expression_system_plasmid: pLysS
Authors : Rao, F.V., Andersen, O.A., Vora, K.A., DeMartino, J.A., van Aalten, D.M.F.
Keywords : (beta-alpha)8 barrel, chitinase-caffeine complex, HYDROLASE
Exp. method : X-RAY DIFFRACTION ( 1.90 Å )
Citation :

Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes.

Rao, F.V.,Andersen, O.A.,Vora, K.A.  et al.
(2005)  Chem.Biol.  12 : 973 - 980

PubMed: 16183021
DOI: 10.1016/j.chembiol.2005.07.009

Reaction

Chain : A, B
UniProt : Q873X9 (CHIB1_ASPFM)
Reaction: EC: Evidence:
Physiological Direction:
Random endo-hydrolysis of N-acetyl-beta-D-glucosaminide (1->4)-beta-linkages in chitin and chitodextrins. 3.2.1.14 PubMed:14523125, PubMed:15664516, PubMed:16096835, PubMed:16183021, PubMed:18975073
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