4U32

Human mesotrypsin complexed with HAI-2 Kunitz domain 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 [auth X]	d4u32x_	Small proteins	BPTI-like	BPTI-like	automated matches	automated matches	Human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
B [auth A]	d4u32a_	All beta proteins	Trypsin-like serine proteases	Trypsin-like serine proteases	Eukaryotic proteases	Trypsin(ogen)	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 [auth X]	SCOP2 Family	Small Kunitz-type inhibitors & BPTI-like toxins	8070112	4003337	SCOP2 (2022-06-29)
A [auth X]	SCOP2 Superfamily	BPTI-like	8070113	3000628	SCOP2 (2022-06-29)
B [auth A]	SCOP2B Superfamily	Trypsin-like serine proteases	8036274	3000114	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 [auth X]	PF00014	e4u32X1	A: few secondary structure elements	X: BPTI-like (From Topology)	H: BPTI-like (From Topology)	T: BPTI-like	F: PF00014	ECOD (1.6)
B [auth A]	PF00089	e4u32A1	A: beta barrels	X: cradle loop barrel	H: RIFT-related	T: FMN-binding split barrel 2	F: PF00089	ECOD (1.6)

Domain Annotation: CATH CATH Database Homepage

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

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A [auth X]	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
B [auth A]	PF00089	Trypsin (Trypsin)	Trypsin	-	Domain

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A [auth X]	Kunitz-type protease inhibitor 2	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	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 cellular process establishment or maintenance of cell polarity cell differentiation involved in embryonic placenta development cellular developmental process epithelial cell differentiation involved in embryonic placenta development reproductive process cell development labyrinthine layer development developmental process involved in reproduction epithelial cell differentiation cell morphogenesis embryonic placenta development epithelial cell morphogenesis cell differentiation epithelial cell morphogenesis involved in placental branching embryonic organ development placenta development animal organ 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 negative regulation of cell population proliferation regulation of biological process negative regulation of neural precursor cell proliferation cell population proliferation regulation of cellular process biological regulation 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 negative regulation of locomotion regulation of cell motility regulation of locomotion negative regulation of cell motility cell motility locomotion regulation of cell adhesion negative regulation of cell adhesion cell adhesion cell-cell adhesion negative regulation of cell-cell adhesion regulation of cell-cell adhesion cellular component organization extracellular matrix organization cellular component organization or biogenesis basement membrane organization extracellular structure organization external encapsulating structure organization 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	membrane cellular anatomical entity extracellular region cell periphery plasma membrane intracellular anatomical structure cytoplasm
B [auth A]	Trypsin-3	cation binding ion binding binding calcium ion binding metal ion binding small molecule binding 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	humoral immune response biological process involved in interspecies interaction between organisms response to stimulus response to other organism defense response immune response defense response to symbiont response to external stimulus antimicrobial humoral response response to biotic stimulus defense response to other organism response to stress immune system process response to external biotic stimulus humoral immune response biological process involved in interspecies interaction between organisms response to stimulus response to other organism defense response immune response defense response to symbiont response to external stimulus antimicrobial humoral response response to biotic stimulus defense response to other organism response to stress immune system process response to external biotic stimulus epithelium migration multicellular organismal process tissue migration endothelial cell migration ameboidal-type cell migration epithelial cell migration cell migration cellular process cell motility organic substance metabolic process organonitrogen compound metabolic process proteolysis metabolic process primary metabolic process protein metabolic process macromolecule metabolic process zymogen activation cellular biosynthetic process cellular metabolic process gene expression macromolecule biosynthetic process protein maturation biosynthetic process organic substance biosynthetic process protein processing digestion	membrane-bounded organelle intracellular anatomical structure tertiary granule lumen membrane-enclosed lumen intracellular vesicle cellular anatomical entity intracellular membrane-bounded organelle endomembrane system intracellular organelle lumen tertiary granule intracellular organelle organelle lumen cytoplasmic vesicle organelle membrane-bounded organelle intracellular anatomical structure tertiary granule lumen membrane-enclosed lumen intracellular vesicle cellular anatomical entity intracellular membrane-bounded organelle endomembrane system intracellular organelle lumen tertiary granule intracellular organelle organelle lumen cytoplasmic vesicle organelle secretory granule secretory vesicle cytoplasm vesicle extracellular region extracellular space

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A [auth X]	IPR020901	Proteinase inhibitor I2, Kunitz, conserved site	Conserved Site
A [auth X]	IPR036880	Pancreatic trypsin inhibitor Kunitz domain superfamily	Homologous Superfamily
A [auth X]	IPR002223	Pancreatic trypsin inhibitor Kunitz domain	Domain
B [auth A]	IPR009003	Peptidase S1, PA clan	Homologous Superfamily
B [auth A]	IPR001314	Peptidase S1A, chymotrypsin family	Family
B [auth A]	IPR001254	Serine proteases, trypsin domain	Domain
B [auth A]	IPR043504	Peptidase S1, PA clan, chymotrypsin-like fold	Homologous Superfamily
B [auth A]	IPR018114	Serine proteases, trypsin family, histidine active site	Active Site

Pharos: Disease Associations Pharos Homepage Annotation

Chains	Drug Target	Associated Disease
A [auth X]	Pharos: O43291	carcinoma neural tube defect placenta disease congenital secretory sodium diarrhea 3 Prenatal Injuries sarcomatoid carcinoma invasive ductal breast carcinoma lung cancer medulloblastoma neurenteric cyst ovarian cancer astrocytic tumor pilocytic astrocytoma polydactyly prostate carcinoma carcinoma neural tube defect placenta disease congenital secretory sodium diarrhea 3 Prenatal Injuries sarcomatoid carcinoma invasive ductal breast carcinoma lung cancer medulloblastoma neurenteric cyst ovarian cancer astrocytic tumor pilocytic astrocytoma polydactyly prostate carcinoma ductal breast carcinoma in situ iniencephaly large cell medulloblastoma malignant ependymoma mammary neoplasms, animal oligodendroglioma pancreatic ductal adenocarcinoma breast carcinoma tethered spinal cord syndrome interstitial cystitis lung adenocarcinoma malignant glioma osteosarcoma pancreatic intraductal papillary-mucinous carcinoma breast fibroadenoma choanal atresia craniorachischisis primitive neuroectodermal tumor diastematomyelia glioblastoma undifferentiated carcinoma
B [auth A]	Pharos: P35030	urinary bladder cancer primitive neuroectodermal tumor astrocytic tumor diabetes mellitus large cell medulloblastoma malignant mesothelioma oligodendroglioma pancreatic intraductal papillary-mucinous neoplasm Prevention of deep vein thrombosis psoriasis urinary bladder neoplasm atypical teratoid rhabdoid tumor glioblastoma malignant ependymoma malignant pancreatic neoplasm urinary bladder cancer primitive neuroectodermal tumor astrocytic tumor diabetes mellitus large cell medulloblastoma malignant mesothelioma oligodendroglioma pancreatic intraductal papillary-mucinous neoplasm Prevention of deep vein thrombosis psoriasis urinary bladder neoplasm atypical teratoid rhabdoid tumor glioblastoma malignant ependymoma malignant pancreatic neoplasm pancreatic ductal adenocarcinoma pancreatic intraductal papillary-mucinous neoplasm with low grade dysplasia subependymal giant cell astrocytoma cystic fibrosis Hashimoto thyroiditis malignant glioma medulloblastoma pancreatic intraductal papillary-mucinous carcinoma pilocytic astrocytoma

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), 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.