2OUL

The Structure of Chagasin in Complex with a Cysteine Protease Clarifies the Binding Mode and Evolution of a New Inhibitor Family

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

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

Chains	Domain Info	Class	Fold	Superfamily	Family	Domain	Species	Provenance Source (Version)
A	d2oula_	Alpha and beta proteins (a+b)	Cysteine proteinases	Cysteine proteinases	Papain-like	Falcipain 2	(Plasmodium falciparum 3D7 ) [TaxId: 36329 ],	SCOPe (2.08)
B	d2oulb_	All beta proteins	Immunoglobulin-like beta-sandwich	ICP-like	ICP-like	Chagasin	(Trypanosoma cruzi ) [TaxId: 5693 ],	SCOPe (2.08)

Domain Annotation: SCOP2 Classification SCOP2 Database Homepage

Chains	Type	Family Name	Domain Identifier	Family Identifier	Provenance Source (Version)
A	SCOP2 Family	Papain-like	8022799	4000859	SCOP2 (2022-06-29)
A	SCOP2 Superfamily	Cysteine proteinases	8035179	3001808	SCOP2 (2022-06-29)
B	SCOP2B Superfamily	ICP-like	8055379	3002058	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)
A	Peptidase_C1	e2oulA1	A: a+b complex topology	X: Cysteine proteinases-like	H: Cysteine proteinases (From Topology)	T: Cysteine proteinases	F: Peptidase_C1	ECOD (1.6)
B	Inhibitor_I42	e2oulB1	A: beta sandwiches	X: Immunoglobulin-like beta-sandwich	H: Immunoglobulin-related	T: Immunoglobulin/Fibronectin type III/E set domains/PapD-like	F: Inhibitor_I42	ECOD (1.6)

Domain Annotation: CATH CATH Database Homepage

Chain	Domain	Class	Architecture	Topology	Homology	Provenance Source (Version)
A	3.90.70.10	Alpha Beta	Alpha-Beta Complex	Cathepsin B	Chain A	CATH (4.3.0)
B	2.60.40.2020	Mainly Beta	Sandwich	Immunoglobulin-like		CATH (4.3.0)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A	PF00112	Papain family cysteine protease (Peptidase_C1)	Papain family cysteine protease	-	Domain
B	PF09394	Chagasin family peptidase inhibitor I42 (Inhibitor_I42)	Chagasin family peptidase inhibitor I42	Chagasin is a cysteine peptidase inhibitor [1] which forms a beta barrel structure [2].	Domain

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A	Falcipain 2	cysteine-type peptidase activity peptidase activity catalytic activity, acting on a protein cysteine-type endopeptidase activity hydrolase activity catalytic activity endopeptidase activity	organonitrogen compound catabolic process organonitrogen compound metabolic process catabolic process proteolysis involved in protein catabolic process primary metabolic process protein catabolic process macromolecule catabolic process organic substance metabolic process proteolysis metabolic process protein metabolic process macromolecule metabolic process organic substance catabolic process	membrane cellular anatomical entity extracellular region extracellular space membrane-bounded organelle phagolysosome intracellular anatomical structure lytic vacuole intracellular vesicle vacuole phagocytic vesicle intracellular membrane-bounded organelle food vacuole intracellular organelle membrane cellular anatomical entity extracellular region extracellular space membrane-bounded organelle phagolysosome intracellular anatomical structure lytic vacuole intracellular vesicle vacuole phagocytic vesicle intracellular membrane-bounded organelle food vacuole intracellular organelle cytoplasmic vesicle organelle secondary lysosome cytoplasm vesicle endocytic vesicle lysosome
B	Chagasin	enzyme regulator activity molecular function inhibitor activity peptidase regulator activity molecular function regulator activity enzyme inhibitor activity cysteine-type endopeptidase inhibitor activity peptidase inhibitor activity endopeptidase regulator activity endopeptidase inhibitor activity	-	cell surface cellular anatomical entity membrane-bounded organelle intracellular organelle intracellular anatomical structure cytoplasmic vesicle organelle intracellular vesicle cytoplasm intracellular membrane-bounded organelle vesicle ciliary pocket cell projection cilium cell surface cellular anatomical entity membrane-bounded organelle intracellular organelle intracellular anatomical structure cytoplasmic vesicle organelle intracellular vesicle cytoplasm intracellular membrane-bounded organelle vesicle ciliary pocket cell projection cilium plasma membrane bounded cell projection

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A	IPR000169	Cysteine peptidase, cysteine active site	Active Site
A	IPR013128	Peptidase C1A	Family
A	IPR000668	Peptidase C1A, papain C-terminal	Domain
A	IPR013201	Cathepsin propeptide inhibitor domain (I29)	Domain
A	IPR038765	Papain-like cysteine peptidase superfamily	Homologous Superfamily
A	IPR025660	Cysteine peptidase, histidine active site	Active Site
A	IPR039417	Papain-like cysteine endopeptidase	Domain
B	IPR036331	Chagasin-like superfamily	Homologous Superfamily
B	IPR018990	Proteinase inhibitor I42, chagasin	Domain

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.