3T62 | pdb_00003t62

Crystal structure of recombinant Kunitz Type serine protease Inhibitor-1 from the Caribbean Sea anemone Stichodactyla helianthus in complex with bovine chymotrypsin

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	d3t62a_	All beta proteins	Trypsin-like serine proteases	Trypsin-like serine proteases	Eukaryotic proteases	(alpha,gamma)-chymotrypsin(ogen)	(Bos taurus ) [TaxId: 9913 ],	SCOPe (2.08)
C [auth B]	d3t62b_	All beta proteins	Trypsin-like serine proteases	Trypsin-like serine proteases	Eukaryotic proteases	(alpha,gamma)-chymotrypsin(ogen)	(Bos taurus ) [TaxId: 9913 ],	SCOPe (2.08)
E [auth C]	d3t62c_	All beta proteins	Trypsin-like serine proteases	Trypsin-like serine proteases	Eukaryotic proteases	(alpha,gamma)-chymotrypsin(ogen)	(Bos taurus ) [TaxId: 9913 ],	SCOPe (2.08)
D [auth E]	d3t62e_	Small proteins	BPTI-like	BPTI-like	Small Kunitz-type inhibitors & BPTI-like toxins	automated matches	Caribbean sea anemone (Stichodactyla helianthus ) [TaxId: 6123 ],	SCOPe (2.08)
B [auth D]	d3t62d_	Small proteins	BPTI-like	BPTI-like	Small Kunitz-type inhibitors & BPTI-like toxins	automated matches	Caribbean sea anemone (Stichodactyla helianthus ) [TaxId: 6123 ],	SCOPe (2.08)
F	d3t62f_	Small proteins	BPTI-like	BPTI-like	Small Kunitz-type inhibitors & BPTI-like toxins	automated matches	Caribbean sea anemone (Stichodactyla helianthus ) [TaxId: 6123 ],	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	8042128	3000114	SCOP2B (2022-06-29)
C [auth B]	SCOP2B Superfamily	Trypsin-like serine proteases	8042128	3000114	SCOP2B (2022-06-29)
E [auth C]	SCOP2B Superfamily	Trypsin-like serine proteases	8042128	3000114	SCOP2B (2022-06-29)
D [auth E]	SCOP2B Superfamily	BPTI-like	8038557	3000628	SCOP2B (2022-06-29)
B [auth D]	SCOP2B Superfamily	BPTI-like	8038557	3000628	SCOP2B (2022-06-29)
F	SCOP2B Superfamily	BPTI-like	8038557	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	e3t62A2	A: beta barrels	X: cradle loop barrel	H: RIFT-related	T: FMN-binding split barrel 2	F: Trypsin_1	ECOD (1.6)
C [auth B]	Trypsin_1	e3t62B2	A: beta barrels	X: cradle loop barrel	H: RIFT-related	T: FMN-binding split barrel 2	F: Trypsin_1	ECOD (1.6)
E [auth C]	Trypsin_1	e3t62C2	A: beta barrels	X: cradle loop barrel	H: RIFT-related	T: FMN-binding split barrel 2	F: Trypsin_1	ECOD (1.6)
D [auth E]	Kunitz_BPTI	e3t62E1	A: few secondary structure elements	X: BPTI-like (From Topology)	H: BPTI-like (From Topology)	T: BPTI-like	F: Kunitz_BPTI	ECOD (1.6)
B [auth D]	Kunitz_BPTI	e3t62D1	A: few secondary structure elements	X: BPTI-like (From Topology)	H: BPTI-like (From Topology)	T: BPTI-like	F: Kunitz_BPTI	ECOD (1.6)
F	Kunitz_BPTI	e3t62F1	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)
C [auth B]	2.40.10.10	Mainly Beta	Beta Barrel	Thrombin, subunit H	Trypsin-like serine proteases	CATH (4.3.0)
E [auth C]	2.40.10.10	Mainly Beta	Beta Barrel	Thrombin, subunit H	Trypsin-like serine proteases	CATH (4.3.0)
D [auth E]	4.10.410.10	Few Secondary Structures	Irregular	Factor Xa Inhibitor	Pancreatic trypsin inhibitor Kunitz domain	CATH (4.3.0)
B [auth D]	4.10.410.10	Few Secondary Structures	Irregular	Factor Xa Inhibitor	Pancreatic trypsin inhibitor Kunitz domain	CATH (4.3.0)
F	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, C [auth B], E [auth C]	PF00089	Trypsin (Trypsin)	Trypsin		Domain
B [auth D], D [auth E], F	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, C [auth B], E [auth C]	Chymotrypsinogen A	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 protein binding binding serpin family protein binding	proteolysis metabolic process cellular process primary metabolic process protein metabolic process macromolecule metabolic process multicellular organismal process digestion	protein-containing complex serine protease inhibitor complex protease inhibitor complex peptidase inhibitor complex cellular anatomical structure extracellular region
B [auth D], D [auth E], F	Kunitz-type proteinase inhibitor SHPI-1	enzyme regulator activity peptidase activity peptidase regulator activity catalytic activity, acting on a protein serine hydrolase activity serine-type endopeptidase inhibitor activity hydrolase activity enzyme inhibitor activity peptidase inhibitor activity endopeptidase regulator activity endopeptidase inhibitor activity molecular function inhibitor activity molecular function regulator activity serine-type peptidase activity serine-type endopeptidase activity enzyme regulator activity peptidase activity peptidase regulator activity catalytic activity, acting on a protein serine hydrolase activity serine-type endopeptidase inhibitor activity hydrolase activity enzyme inhibitor activity peptidase inhibitor activity endopeptidase regulator activity endopeptidase inhibitor activity molecular function inhibitor activity molecular function regulator activity serine-type peptidase activity serine-type endopeptidase activity catalytic activity endopeptidase activity aspartic-type peptidase activity aspartic-type endopeptidase activity aspartic-type endopeptidase inhibitor activity	-	cellular anatomical structure extracellular region extracellular space cell periphery intracellular organelle cell cortex intracellular anatomical structure organelle membraneless organelle nematocyst intracellular membraneless organelle cytoplasm

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A, C [auth B], E [auth C]	IPR001254	Serine proteases, trypsin domain	Domain
A, C [auth B], E [auth C]	IPR009003	Peptidase S1, PA clan	Homologous Superfamily
A, C [auth B], E [auth C]	IPR043504	Peptidase S1, PA clan, chymotrypsin-like fold	Homologous Superfamily
A, C [auth B], E [auth C]	IPR018114	Serine proteases, trypsin family, histidine active site	Active Site
A, C [auth B], E [auth C]	IPR001314	Peptidase S1A, chymotrypsin family	Family
A, C [auth B], E [auth C]	IPR033116	Serine proteases, trypsin family, serine active site	Active Site
B [auth D], D [auth E], F	IPR002223	Pancreatic trypsin inhibitor Kunitz domain	Domain
B [auth D], D [auth E], F	IPR050098	Tissue factor pathway inhibitor/Kunitz-type serine protease inhibitor-like	Family
B [auth D], D [auth E], F	IPR020901	Proteinase inhibitor I2, Kunitz, conserved site	Conserved Site
B [auth D], D [auth E], F	IPR036880	Pancreatic trypsin inhibitor Kunitz domain superfamily	Homologous Superfamily

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 R01GM157729.