ChiA1 from Aspergillus fumigatus, apostructure

Natural Product-Guided Discovery of a Fungal Chitinase Inhibitor.

CHIA1 FROM ASPERGILLUS FUMIGATUS IN COMPLEX WITH ACETAZOLAMIDE

A. FUMIGATUS CHITINASE A1 PHENYL-METHYLGUANYLUREA COMPLEX

SHEET
DETERMINATION METHOD: DSSP
THE SHEETS PRESENTED AS "AA" IN EACH CHAIN ON SHEET RECORDS
BELOW IS ACTUALLY AN 8-STRANDED BARREL THIS IS REPRESENTED BY
A 9-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS
ARE IDENTICAL.
THE SHEETS PRESENTED AS "BA" IN EACH CHAIN ON SHEET RECORDS
BELOW IS ACTUALLY AN 8-STRANDED BARREL THIS IS REPRESENTED BY
A 9-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS
ARE IDENTICAL.

PO4 A 1338 IS ON A SPECIAL POSITION (SEE REMARK 375) AND HAS BEEN BUILT WITH ATOMS OMITTED (SEE REMARK 610). COMPLETE SET OF ATOMS IS SYMMETRY-GENERATED (SEE ALSO REMARK 500 SUBTOPIC: CLOSE CONTACTS).
EXPRESSED CONSTRUCT INCLUDES RESIDUES 29 TO 337 ONLY. PHE28 OF CHAIN A IS GENERATED BY THE CLONING SITE PRECEDING THE INSERT.

HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.

CLASS III CHITINASE CHIA1 (E.C.3.2.1.14)

HYDROLASE, GH18, TIM BARREL, ASPERGILLOSIS