Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4AOR

Cationic trypsin in complex with the Spinacia oleracea trypsin inhibitor III (SOTI-III)

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004175	molecular_function	endopeptidase activity
A	0004252	molecular_function	serine-type endopeptidase activity
A	0005515	molecular_function	protein binding
A	0005576	cellular_component	extracellular region
A	0005615	cellular_component	extracellular space
A	0006508	biological_process	proteolysis
A	0007586	biological_process	digestion
A	0008233	molecular_function	peptidase activity
A	0008236	molecular_function	serine-type peptidase activity
A	0016787	molecular_function	hydrolase activity
A	0046872	molecular_function	metal ion binding
A	0097180	cellular_component	serine protease inhibitor complex
A	0097655	molecular_function	serpin family protein binding
B	0004175	molecular_function	endopeptidase activity
B	0004252	molecular_function	serine-type endopeptidase activity
B	0005515	molecular_function	protein binding
B	0005576	cellular_component	extracellular region
B	0005615	cellular_component	extracellular space
B	0006508	biological_process	proteolysis
B	0007586	biological_process	digestion
B	0008233	molecular_function	peptidase activity
B	0008236	molecular_function	serine-type peptidase activity
B	0016787	molecular_function	hydrolase activity
B	0046872	molecular_function	metal ion binding
B	0097180	cellular_component	serine protease inhibitor complex
B	0097655	molecular_function	serpin family protein binding
C	0004175	molecular_function	endopeptidase activity
C	0004252	molecular_function	serine-type endopeptidase activity
C	0005515	molecular_function	protein binding
C	0005576	cellular_component	extracellular region
C	0005615	cellular_component	extracellular space
C	0006508	biological_process	proteolysis
C	0007586	biological_process	digestion
C	0008233	molecular_function	peptidase activity
C	0008236	molecular_function	serine-type peptidase activity
C	0016787	molecular_function	hydrolase activity
C	0046872	molecular_function	metal ion binding
C	0097180	cellular_component	serine protease inhibitor complex
C	0097655	molecular_function	serpin family protein binding
D	0004867	molecular_function	serine-type endopeptidase inhibitor activity
D	0030414	molecular_function	peptidase inhibitor activity
E	0004867	molecular_function	serine-type endopeptidase inhibitor activity
E	0030414	molecular_function	peptidase inhibitor activity
F	0004867	molecular_function	serine-type endopeptidase inhibitor activity
F	0030414	molecular_function	peptidase inhibitor activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL A 1247

Chain	Residue
A	LYS66
A	SER67
A	GLY68
A	ILE69
A	ALA90
A	SER93
A	HOH2063
A	HOH2210
B	SER134

site_id	AC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL A 1248

Chain	Residue
A	GLN138
A	LEU140
A	VAL205
A	CYS206
A	SER207
A	GLY208
A	HOH2211
E	HOH2014

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL A 1249

Chain	Residue
A	GLN138
A	PRO164
A	TYR188
A	HOH2178

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL A 1250

Chain	Residue
A	HIS96
A	ASN106
A	ASN182
A	TYR235

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL A 1251

Chain	Residue
A	ARG72
A	GLU75
A	ILE78
A	HOH2029

site_id	AC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL A 1252

Chain	Residue
A	ASN100
A	ASN105
A	HOH2105

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE IMD A 1253

Chain	Residue
A	ASN42
A	TYR45
A	HIS46
A	ILE78
A	ASN79
D	PHE14

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE IMD A 1254

Chain	Residue
A	ASN102
A	THR103
A	GLN178
A	TRP216
A	HOH2104
C	PHE87

site_id	AC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA A 1255

Chain	Residue
A	GLU75
A	ASN77
A	VAL80
A	GLU85
A	HOH2068
A	HOH2069

site_id	BC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL B 1247

Chain	Residue
B	TYR175
B	GLN178
B	SER218
B	IMD1250
E	ILE30

site_id	BC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE IMD B 1248

Chain	Residue
B	LYS66
B	GLY68
B	ILE69
B	ALA90
B	SER93

site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE IMD B 1249

Chain	Residue
B	TYR45
B	HIS46
B	ILE78
B	ASN79

site_id	BC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE IMD B 1250

Chain	Residue
B	ASN102
B	THR103
B	GLN178
B	GOL1247
B	IMD1251
B	HOH2089

site_id	BC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE IMD B 1251

Chain	Residue
B	SER101
B	ASN102
B	IMD1250
E	HIS28

site_id	BC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA B 1252

Chain	Residue
B	GLU75
B	ASN77
B	VAL80
B	GLU85
B	HOH2059
B	HOH2060

site_id	BC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CA B 1253

Chain	Residue
B	SER170
B	HOH2141
B	HOH2187

site_id	BC8
Number of Residues	13
Details	BINDING SITE FOR RESIDUE MES B 1254

Chain	Residue
A	PRO129
A	THR130
A	SER131
A	CYS233
A	VAL236
A	SER237
A	LYS240
A	HOH2197
B	SER237
B	TRP238
B	GLN241
B	HOH2082
B	HOH2177

site_id	BC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL C 1247

Chain	Residue
C	TRP216
C	ASN102
C	THR103
C	GLN178

site_id	CC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE IMD C 1248

Chain	Residue
C	ASN42
C	TYR45
C	HIS46
C	ILE78
C	ASN79
F	PHE14

site_id	CC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA C 1249

Chain	Residue
A	HOH2172
C	GLU75
C	ASN77
C	VAL80
C	GLU85
C	HOH2051

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
A	VAL59-CYS64

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

Chain	Residue	Details
A	ASP194-VAL205

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	660
Details	Domain: {"description":"Peptidase S1","evidences":[{"source":"PROSITE-ProRule","id":"PRU00274","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	9
Details	Active site: {"description":"Charge relay system"}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	21
Details	Binding site: {}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	3
Details	Site: {"description":"Reactive bond for trypsin","evidences":[{"source":"UniProtKB","id":"P84779","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)