2TLD

CRYSTAL STRUCTURE OF AN ENGINEERED SUBTILISIN INHIBITOR COMPLEXED WITH BOVINE TRYPSIN

Functional Information from GO Data

Chain	GOid	namespace	contents
E	0004175	molecular_function	endopeptidase activity
E	0004252	molecular_function	serine-type endopeptidase activity
E	0005515	molecular_function	protein binding
E	0005576	cellular_component	extracellular region
E	0005615	cellular_component	extracellular space
E	0006508	biological_process	proteolysis
E	0007586	biological_process	digestion
E	0008236	molecular_function	serine-type peptidase activity
E	0046872	molecular_function	metal ion binding
E	0097180	cellular_component	serine protease inhibitor complex
E	0097655	molecular_function	serpin family protein binding
I	0004867	molecular_function	serine-type endopeptidase inhibitor activity
I	0005576	cellular_component	extracellular region

Functional Information from PDB Data

site_id	CAT
Number of Residues	3
Details	RESIDUES FORMING THE CATALYTIC TRIAD IN TRYPSIN

Chain	Residue
E	ASP102
E	HIS57
E	SER195

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site_id	RAC
Number of Residues	2
Details	RESIDUES OF SSI CONNECTED THROUGH A REACTIVE SITE PEPTIDE BOND (OR A SCISSIBLE BOND) WHICH IS POTENTIALLY CLEAVED BY TARGET ENZYMES INCLUDING TRYPSIN AND SUBTILISIN.

Chain	Residue
I	LYS73
I	VAL74

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site_id	S13
Number of Residues	3
Details	A THREE-RESIDUE POLYPEPTIDE SEGMENT OF SUBTILISIN CAPABLE OF FORMING AN ANTIPARALLEL BETA SHEET WITH THE P1, P2 AND P3 RESIDUES OF A LIGAND

Chain	Residue
E	SER214
E	TRP215
E	GLY216

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Functional Information from PROSITE/UniProt

site_id	PS00134
Number of Residues	6
Details	TRYPSIN_HIS Serine proteases, trypsin family, histidine active site. VSAAHC

Chain	Residue	Details
E	VAL53-CYS58

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site_id	PS00135
Number of Residues	12
Details	TRYPSIN_SER Serine proteases, trypsin family, serine active site. DScqGDSGGPVV

Chain	Residue	Details
E	ASP189-VAL200

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site_id	PS00999
Number of Residues	19
Details	SSI Streptomyces subtilisin-type inhibitors signature. CaPgpsGtHPaagsACAdL

Chain	Residue	Details
I	CYS35-LEU53

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	SITE: Reactive bond for subtilisin

Chain	Residue	Details
I	LYS73
E	LEU105
E	VAL200

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site_id	SWS_FT_FI2
Number of Residues	7
Details	BINDING:

Chain	Residue	Details
E	ILE73
E	VAL75
E	GLY78
E	ILE83
E	ASP194
E	GLY197
E	VAL200

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Catalytic Information from CSA

site_id	CSA1
Number of Residues	2
Details	Annotated By Reference To The Literature 1a0j

Chain	Residue	Details
E	ASP102
E	HIS57

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site_id	CSA2
Number of Residues	2
Details	Annotated By Reference To The Literature 1a0j

Chain	Residue	Details
E	SER195
E	GLY196

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site_id	CSA3
Number of Residues	2
Details	Annotated By Reference To The Literature 1a0j

Chain	Residue	Details
E	SER195
E	GLY193

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site_id	CSA4
Number of Residues	3
Details	Annotated By Reference To The Literature 1a0j

Chain	Residue	Details
E	ASP102
E	SER195
E	HIS57

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site_id	CSA5
Number of Residues	4
Details	Annotated By Reference To The Literature 1a0j

Chain	Residue	Details
E	ASP102
E	SER195
E	GLY193
E	HIS57

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site_id	CSA6
Number of Residues	4
Details	Annotated By Reference To The Literature 1a0j

Chain	Residue	Details
E	ASP102
E	SER195
E	HIS57
E	GLY196

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