3CHE

Crystal structure of Aspergillus fumigatus chitinase B1 in complex with tripeptide

External Resource: Annotation

Domain Annotation: SCOP/SCOPe Classification
Domain Annotation: SCOP2 Classification
Domain Annotation: ECOD Classification
Domain Annotation: CATH
Protein Family Annotation
Gene Ontology: Gene Product Annotation
InterPro: Protein Family Classification
Protein Modification Annotation

Domain Annotation: SCOP/SCOPe Classification SCOP-e Database Homepage

Chains	Domain Info	Class	Fold	Superfamily	Family	Domain	Species	Provenance Source (Version)
B	d3cheb1	Alpha and beta proteins (a/b)	TIM beta/alpha-barrel	(Trans)glycosidases	Type II chitinase	Chitinase 1	(Aspergillus fumigatus ) [TaxId: 746128 ],	SCOPe (2.08)
B	d3cheb2	Alpha and beta proteins (a+b)	FKBP-like	Chitinase insertion domain	Chitinase insertion domain	Chitinase 1	(Aspergillus fumigatus ) [TaxId: 746128 ],	SCOPe (2.08)
A	d3chea1	Alpha and beta proteins (a/b)	TIM beta/alpha-barrel	(Trans)glycosidases	Type II chitinase	Chitinase 1	(Aspergillus fumigatus ) [TaxId: 746128 ],	SCOPe (2.08)
A	d3chea2	Alpha and beta proteins (a+b)	FKBP-like	Chitinase insertion domain	Chitinase insertion domain	Chitinase 1	(Aspergillus fumigatus ) [TaxId: 746128 ],	SCOPe (2.08)

Domain Annotation: SCOP2 Classification SCOP2 Database Homepage

Chains	Type	Family Name	Domain Identifier	Family Identifier	Provenance Source (Version)
B	SCOP2B Superfamily	Chitinase insertion domain	8043367	3000666	SCOP2B (2022-06-29)
B	SCOP2B Superfamily	(Trans)glycosidases	8043365	3000313	SCOP2B (2022-06-29)
B	SCOP2B Superfamily	(Trans)glycosidases	8043365	3000313	SCOP2B (2022-06-29)
A	SCOP2B Superfamily	Chitinase insertion domain	8043367	3000666	SCOP2B (2022-06-29)
A	SCOP2B Superfamily	(Trans)glycosidases	8043365	3000313	SCOP2B (2022-06-29)
A	SCOP2B Superfamily	(Trans)glycosidases	8043365	3000313	SCOP2B (2022-06-29)

Domain Annotation: ECOD Classification ECOD Database Homepage

Chains	Family Name	Domain Identifier	Architecture	Possible Homology	Homology	Topology	Family	Provenance Source (Version)
B	GH18_chitolectin_chitotriosidase_2	e3cheB1	A: a+b two layers	X: FKBP-like	H: Chitinase insertion domain (From Topology)	T: Chitinase insertion domain	F: GH18_chitolectin_chitotriosidase_2	ECOD (1.6)
B	Glyco_hydro_18	e3cheB2	A: a/b barrels	X: TIM beta/alpha-barrel	H: TIM barrels (From Topology)	T: TIM barrels	F: Glyco_hydro_18	ECOD (1.6)
A	GH18_chitolectin_chitotriosidase_2	e3cheA1	A: a+b two layers	X: FKBP-like	H: Chitinase insertion domain (From Topology)	T: Chitinase insertion domain	F: GH18_chitolectin_chitotriosidase_2	ECOD (1.6)
A	Glyco_hydro_18	e3cheA2	A: a/b barrels	X: TIM beta/alpha-barrel	H: TIM barrels (From Topology)	T: TIM barrels	F: Glyco_hydro_18	ECOD (1.6)

Domain Annotation: CATH CATH Database Homepage

Chain	Domain	Class	Architecture	Topology	Homology	Provenance Source (Version)
B	3.20.20.80	Alpha Beta	Alpha-Beta Barrel	TIM Barrel	Glycosidases	CATH (4.3.0)
B	3.10.50.10	Alpha Beta	Roll	Chitinase A	domain 3	CATH (4.3.0)
A	3.20.20.80	Alpha Beta	Alpha-Beta Barrel	TIM Barrel	Glycosidases	CATH (4.3.0)
A	3.10.50.10	Alpha Beta	Roll	Chitinase A	domain 3	CATH (4.3.0)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A, B	PF00704	Glycosyl hydrolases family 18 (Glyco_hydro_18)	Glycosyl hydrolases family 18	-	Domain

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A, B	Chitinase	chitin binding binding carbohydrate derivative binding chitinase activity hydrolase activity, acting on glycosyl bonds hydrolase activity, hydrolyzing O-glycosyl compounds hydrolase activity catalytic activity	organonitrogen compound catabolic process carbohydrate derivative catabolic process catabolic process organonitrogen compound metabolic process carbohydrate derivative metabolic process chitin metabolic process aminoglycan catabolic process macromolecule catabolic process glucosamine-containing compound catabolic process organic substance metabolic process amino sugar catabolic process aminoglycan metabolic process amino sugar metabolic process metabolic process organonitrogen compound catabolic process carbohydrate derivative catabolic process catabolic process organonitrogen compound metabolic process carbohydrate derivative metabolic process chitin metabolic process aminoglycan catabolic process macromolecule catabolic process glucosamine-containing compound catabolic process organic substance metabolic process amino sugar catabolic process aminoglycan metabolic process amino sugar metabolic process metabolic process macromolecule metabolic process organic substance catabolic process chitin catabolic process glucosamine-containing compound metabolic process carbohydrate metabolic process carbohydrate catabolic process primary metabolic process polysaccharide metabolic process polysaccharide catabolic process	extracellular region cellular anatomical entity
C, D	Peptide inhibitor	-	-	-

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A, B	IPR011583	Chitinase II	Domain
A, B	IPR029070	Chitinase insertion domain superfamily	Homologous Superfamily
A, B	IPR001579	Glycosyl hydrolases family 18 (GH18) active site	Active Site
A, B	IPR017853	Glycoside hydrolase superfamily	Homologous Superfamily
A, B	IPR001223	Glycoside hydrolase family 18, catalytic domain	Domain

Protein Modification Annotation

Modified Residue(s)
Chain	Residue(s)	Description
C, D	ACE	RESID: AA0041 , AA0042 , AA0043 , AA0044 , AA0045 , AA0046 , AA0049 , AA0050 , AA0051 , AA0052 , AA0053 , AA0054 , AA0354 PSI-MOD : N-acetyl-L-alanine MOD:00050 , N-acetyl-L-aspartic acid MOD:00051 , N-acetyl-L-cysteine MOD:00052 , N-acetyl-S-archeol-cysteine MOD:00897 , N-acetyl-L-glutamic acid MOD:00053 , N-acetyl-L-glutamine MOD:00054 , N-acetylglycine MOD:00055 , N-acetyl-L-methionine MOD:00058 , N-acetyl-L-proline MOD:00059 , N-acetyl-L-serine MOD:00060 , N,O-diacetylated L-serine MOD:00648 , N-acetyl-L-threonine MOD:00061 , N-acetyl-L-tyrosine MOD:00062 , N-acetyl-L-valine MOD:00063 , N2-acetyl-L-arginine MOD:00359
C, D	MEA	Parent Component: PHE RESID: AA0041 , AA0042 , AA0043 , AA0044 , AA0045 , AA0046 , AA0049 , AA0050 , AA0051 , AA0052 , AA0053 , AA0054 , AA0354 , AA0065 PSI-MOD : N-acetyl-L-alanine MOD:00050 , N-acetyl-L-aspartic acid MOD:00051 , N-acetyl-L-cysteine MOD:00052 , N-acetyl-S-archeol-cysteine MOD:00897 , N-acetyl-L-glutamic acid MOD:00053 , N-acetyl-L-glutamine MOD:00054 , N-acetylglycine MOD:00055 , N-acetyl-L-methionine MOD:00058 , N-acetyl-L-proline MOD:00059 , N-acetyl-L-serine MOD:00060 , N,O-diacetylated L-serine MOD:00648 , N-acetyl-L-threonine MOD:00061 , N-acetyl-L-tyrosine MOD:00062 , N-acetyl-L-valine MOD:00063 , N2-acetyl-L-arginine MOD:00359 , N-methyl-L-phenylalanine MOD:00074
C, D	VR0	Parent Component: ARG RESID: AA0041 , AA0042 , AA0043 , AA0044 , AA0045 , AA0046 , AA0049 , AA0050 , AA0051 , AA0052 , AA0053 , AA0054 , AA0354 , AA0065

RCSB PDB Core Operations are funded by the National Science Foundation (DBI-1832184), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM133198.