4ISO

Crystal Structure of Matriptase in complex with its inhibitor HAI-1

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
Pharos: Disease Associations

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

Chains	Domain Info	Class	Fold	Superfamily	Family	Domain	Species	Provenance Source (Version)
A	d4isoa_	All beta proteins	Trypsin-like serine proteases	Trypsin-like serine proteases	Eukaryotic proteases	Matriptase MTSP1	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
B	d4isob_	Small proteins	BPTI-like	BPTI-like	automated matches	automated matches	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)

Domain Annotation: SCOP2 Classification SCOP2 Database Homepage

Chains	Type	Family Name	Domain Identifier	Family Identifier	Provenance Source (Version)
A	SCOP2B Superfamily	Trypsin-like serine proteases	8035635	3000114	SCOP2B (2022-06-29)
B	SCOP2B Superfamily	BPTI-like	8070121	3000628	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	Trypsin_1	e4isoA2	A: beta barrels	X: cradle loop barrel	H: RIFT-related	T: FMN-binding split barrel 2	F: Trypsin_1	ECOD (1.6)
B	Kunitz_BPTI	e4isoB1	A: few secondary structure elements	X: BPTI-like (From Topology)	H: BPTI-like (From Topology)	T: BPTI-like	F: Kunitz_BPTI	ECOD (1.6)

Domain Annotation: CATH CATH Database Homepage

Chain	Domain	Class	Architecture	Topology	Homology	Provenance Source (Version)
A	2.40.10.10	Mainly Beta	Beta Barrel	Thrombin, subunit H	Trypsin-like serine proteases	CATH (4.3.0)
B	4.10.410.10	Few Secondary Structures	Irregular	Factor Xa Inhibitor	Pancreatic trypsin inhibitor Kunitz domain	CATH (4.3.0)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A	PF00089	Trypsin (Trypsin)	Trypsin	-	Domain
B	PF00014	Kunitz/Bovine pancreatic trypsin inhibitor domain (Kunitz_BPTI)	Kunitz/Bovine pancreatic trypsin inhibitor domain	Indicative of a protease inhibitor, usually a serine protease inhibitor. Structure is a disulfide rich alpha+beta fold. BPTI (bovine pancreatic trypsin inhibitor) is an extensively studied model structure. Certain family members are similar to the ...	Indicative of a protease inhibitor, usually a serine protease inhibitor. Structure is a disulfide rich alpha+beta fold. BPTI (bovine pancreatic trypsin inhibitor) is an extensively studied model structure. Certain family members are similar to the tick anticoagulant peptide (TAP, Swiss:P17726). This is a highly selective inhibitor of factor Xa in the blood coagulation pathways [1]. TAP molecules are highly dipolar [2], and are arranged to form a twisted two- stranded antiparallel beta-sheet followed by an alpha helix [1].	Domain

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A	Suppressor of tumorigenicity 14 protein	peptidase activity catalytic activity, acting on a protein serine hydrolase activity serine-type peptidase activity hydrolase activity serine-type endopeptidase activity catalytic activity endopeptidase activity	multicellular organismal process embryonic epithelial tube formation chordate embryonic development tube formation embryo development multicellular organism development epithelial tube formation tube morphogenesis primary neural tube formation embryo development ending in birth or egg hatching anatomical structure development epithelial tube morphogenesis system development developmental process multicellular organismal process embryonic epithelial tube formation chordate embryonic development tube formation embryo development multicellular organism development epithelial tube formation tube morphogenesis primary neural tube formation embryo development ending in birth or egg hatching anatomical structure development epithelial tube morphogenesis system development developmental process morphogenesis of embryonic epithelium epithelium development neural tube development tube development embryonic morphogenesis morphogenesis of an epithelium nervous system development tissue development anatomical structure morphogenesis tissue morphogenesis neural tube closure neural tube formation anatomical structure formation involved in morphogenesis tube closure epidermal cell differentiation cellular developmental process epidermis development animal organ development epithelial cell differentiation skin development cell differentiation keratinocyte differentiation cellular process catabolic process metabolic process primary metabolic process protein catabolic process protein metabolic process macromolecule metabolic process macromolecule catabolic process cell differentiation involved in embryonic placenta development epithelial cell differentiation involved in embryonic placenta development reproductive process cell development labyrinthine layer development developmental process involved in reproduction cell morphogenesis embryonic placenta development epithelial cell morphogenesis epithelial cell morphogenesis involved in placental branching embryonic organ development placenta development branching involved in labyrinthine layer morphogenesis in utero embryonic development embryonic placenta morphogenesis labyrinthine layer morphogenesis epithelial cell development morphogenesis of a branching structure morphogenesis of a branching epithelium proteolysis	cell periphery cellular anatomical structure cell surface membrane plasma membrane external side of plasma membrane side of membrane basal part of cell basal plasma membrane plasma membrane region basolateral plasma membrane extracellular region extracellular space
B	Kunitz-type protease inhibitor 1	enzyme regulator activity molecular function inhibitor activity peptidase regulator activity serine-type endopeptidase inhibitor activity molecular function regulator activity enzyme inhibitor activity peptidase inhibitor activity endopeptidase regulator activity endopeptidase inhibitor activity	cellular component organization extracellular matrix organization cellular process cellular component organization or biogenesis extracellular structure organization external encapsulating structure organization developmental process epidermis development anatomical structure development tissue development multicellular organismal process chordate embryonic development labyrinthine layer development embryo development cellular component organization extracellular matrix organization cellular process cellular component organization or biogenesis extracellular structure organization external encapsulating structure organization developmental process epidermis development anatomical structure development tissue development multicellular organismal process chordate embryonic development labyrinthine layer development embryo development multicellular organism development embryonic placenta development embryo development ending in birth or egg hatching embryonic organ development epithelium development placenta development embryonic morphogenesis animal organ development morphogenesis of an epithelium branching involved in labyrinthine layer morphogenesis in utero embryonic development embryonic placenta morphogenesis anatomical structure morphogenesis labyrinthine layer morphogenesis tissue morphogenesis morphogenesis of a branching structure morphogenesis of a branching epithelium placenta blood vessel development vasculature development circulatory system development blood vessel development system development positive regulation of nervous system development regulation of cellular process cellular developmental process regulation of developmental process positive regulation of biological process cell development regulation of neurogenesis regulation of cell differentiation regulation of gliogenesis positive regulation of gliogenesis regulation of cell development regulation of nervous system development positive regulation of developmental process neurogenesis gliogenesis positive regulation of cell differentiation cell differentiation regulation of multicellular organismal process positive regulation of neurogenesis positive regulation of cellular process regulation of multicellular organismal development regulation of biological process biological regulation positive regulation of cell development regulation of glial cell differentiation positive regulation of glial cell differentiation nervous system development glial cell differentiation positive regulation of multicellular organismal process embryonic epithelial tube formation tube formation epithelial tube formation tube morphogenesis primary neural tube formation epithelial tube morphogenesis morphogenesis of embryonic epithelium neural tube development tube development neural tube closure neural tube formation anatomical structure formation involved in morphogenesis tube closure negative regulation of cell population proliferation negative regulation of neural precursor cell proliferation cell population proliferation negative regulation of biological process regulation of cell population proliferation negative regulation of cellular process neural precursor cell proliferation regulation of neural precursor cell proliferation cellular response to BMP stimulus cellular response to endogenous stimulus response to BMP cellular response to growth factor stimulus response to stimulus response to endogenous stimulus response to growth factor	cellular anatomical structure membrane extracellular exosome membrane-bounded organelle extracellular vesicle extracellular organelle extracellular region organelle extracellular space vesicle extracellular membrane-bounded organelle cell periphery plasma membrane intracellular anatomical structure cellular anatomical structure membrane extracellular exosome membrane-bounded organelle extracellular vesicle extracellular organelle extracellular region organelle extracellular space vesicle extracellular membrane-bounded organelle cell periphery plasma membrane intracellular anatomical structure cytoplasm

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A	IPR002172	Low-density lipoprotein (LDL) receptor class A repeat	Repeat
A	IPR009003	Peptidase S1, PA clan	Homologous Superfamily
A	IPR017051	Peptidase S1A, matripase	Family
A	IPR033116	Serine proteases, trypsin family, serine active site	Active Site
A	IPR035914	Spermadhesin, CUB domain superfamily	Homologous Superfamily
A	IPR001254	Serine proteases, trypsin domain	Domain
A	IPR023415	Low-density lipoprotein (LDL) receptor class A, conserved site	Conserved Site
A	IPR036055	LDL receptor-like superfamily	Homologous Superfamily
A	IPR036364	SEA domain superfamily	Homologous Superfamily
A	IPR000859	CUB domain	Domain
A	IPR000082	SEA domain	Domain
A	IPR043504	Peptidase S1, PA clan, chymotrypsin-like fold	Homologous Superfamily
A	IPR018114	Serine proteases, trypsin family, histidine active site	Active Site
B	IPR002172	Low-density lipoprotein (LDL) receptor class A repeat	Repeat
B	IPR002223	Pancreatic trypsin inhibitor Kunitz domain	Domain
B	IPR036055	LDL receptor-like superfamily	Homologous Superfamily
B	IPR011106	Seven cysteines, N-terminal	Domain
B	IPR020901	Proteinase inhibitor I2, Kunitz, conserved site	Conserved Site
B	IPR036880	Pancreatic trypsin inhibitor Kunitz domain superfamily	Homologous Superfamily
B	IPR013783	Immunoglobulin-like fold	Homologous Superfamily
B	IPR023415	Low-density lipoprotein (LDL) receptor class A, conserved site	Conserved Site
B	IPR013980	MANSC domain	Domain

Pharos: Disease Associations Pharos Homepage Annotation

Chains	Drug Target	Associated Disease
A	Pharos: Q9Y5Y6	autosomal recessive congenital ichthyosis 11 Netherton syndrome Liver Cirrhosis, Experimental prostate cancer cystic fibrosis ichthyosis linearis circumflexa malignant pancreatic neoplasm osteosarcoma pancreatic intraductal papillary-mucinous neoplasm psoriasis atopic eczema ductal breast carcinoma in situ interstitial cystitis lung adenocarcinoma pancreatic ductal adenocarcinoma autosomal recessive congenital ichthyosis 11 Netherton syndrome Liver Cirrhosis, Experimental prostate cancer cystic fibrosis ichthyosis linearis circumflexa malignant pancreatic neoplasm osteosarcoma pancreatic intraductal papillary-mucinous neoplasm psoriasis atopic eczema ductal breast carcinoma in situ interstitial cystitis lung adenocarcinoma pancreatic ductal adenocarcinoma hypotrichosis invasive ductal breast carcinoma lung cancer non-small cell lung carcinoma pancreatic intraductal papillary-mucinous carcinoma
B	Pharos: O43278	breast fibroadenoma interstitial cystitis lung cancer pancreatic intraductal papillary-mucinous carcinoma spina bifida ductal breast carcinoma in situ invasive ductal breast carcinoma malignant mesothelioma pancreatic intraductal papillary-mucinous neoplasm ulcerative colitis facioscapulohumeral muscular dystrophy lung adenocarcinoma pancreatic ductal adenocarcinoma psoriasis