Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3UY9

Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor

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	0008236	molecular_function	serine-type peptidase 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	0008236	molecular_function	serine-type peptidase 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	0008236	molecular_function	serine-type peptidase 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	0004175	molecular_function	endopeptidase activity
D	0004252	molecular_function	serine-type endopeptidase activity
D	0005515	molecular_function	protein binding
D	0005576	cellular_component	extracellular region
D	0005615	cellular_component	extracellular space
D	0006508	biological_process	proteolysis
D	0007586	biological_process	digestion
D	0008236	molecular_function	serine-type peptidase activity
D	0046872	molecular_function	metal ion binding
D	0097180	cellular_component	serine protease inhibitor complex
D	0097655	molecular_function	serpin family protein binding
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
F	0004175	molecular_function	endopeptidase activity
F	0004252	molecular_function	serine-type endopeptidase activity
F	0005515	molecular_function	protein binding
F	0005576	cellular_component	extracellular region
F	0005615	cellular_component	extracellular space
F	0006508	biological_process	proteolysis
F	0007586	biological_process	digestion
F	0008236	molecular_function	serine-type peptidase activity
F	0046872	molecular_function	metal ion binding
F	0097180	cellular_component	serine protease inhibitor complex
F	0097655	molecular_function	serpin family protein binding
G	0004175	molecular_function	endopeptidase activity
G	0004252	molecular_function	serine-type endopeptidase activity
G	0005515	molecular_function	protein binding
G	0005576	cellular_component	extracellular region
G	0005615	cellular_component	extracellular space
G	0006508	biological_process	proteolysis
G	0007586	biological_process	digestion
G	0008236	molecular_function	serine-type peptidase activity
G	0046872	molecular_function	metal ion binding
G	0097180	cellular_component	serine protease inhibitor complex
G	0097655	molecular_function	serpin family protein binding
H	0004175	molecular_function	endopeptidase activity
H	0004252	molecular_function	serine-type endopeptidase activity
H	0005515	molecular_function	protein binding
H	0005576	cellular_component	extracellular region
H	0005615	cellular_component	extracellular space
H	0006508	biological_process	proteolysis
H	0007586	biological_process	digestion
H	0008236	molecular_function	serine-type peptidase activity
H	0046872	molecular_function	metal ion binding
H	0097180	cellular_component	serine protease inhibitor complex
H	0097655	molecular_function	serpin family protein binding
I	0004175	molecular_function	endopeptidase activity
I	0004252	molecular_function	serine-type endopeptidase activity
I	0005515	molecular_function	protein binding
I	0005576	cellular_component	extracellular region
I	0005615	cellular_component	extracellular space
I	0006508	biological_process	proteolysis
I	0007586	biological_process	digestion
I	0008236	molecular_function	serine-type peptidase activity
I	0046872	molecular_function	metal ion binding
I	0097180	cellular_component	serine protease inhibitor complex
I	0097655	molecular_function	serpin family protein binding
J	0004175	molecular_function	endopeptidase activity
J	0004252	molecular_function	serine-type endopeptidase activity
J	0005515	molecular_function	protein binding
J	0005576	cellular_component	extracellular region
J	0005615	cellular_component	extracellular space
J	0006508	biological_process	proteolysis
J	0007586	biological_process	digestion
J	0008236	molecular_function	serine-type peptidase activity
J	0046872	molecular_function	metal ion binding
J	0097180	cellular_component	serine protease inhibitor complex
J	0097655	molecular_function	serpin family protein binding
K	0004175	molecular_function	endopeptidase activity
K	0004252	molecular_function	serine-type endopeptidase activity
K	0005515	molecular_function	protein binding
K	0005576	cellular_component	extracellular region
K	0005615	cellular_component	extracellular space
K	0006508	biological_process	proteolysis
K	0007586	biological_process	digestion
K	0008236	molecular_function	serine-type peptidase activity
K	0046872	molecular_function	metal ion binding
K	0097180	cellular_component	serine protease inhibitor complex
K	0097655	molecular_function	serpin family protein binding
L	0004175	molecular_function	endopeptidase activity
L	0004252	molecular_function	serine-type endopeptidase activity
L	0005515	molecular_function	protein binding
L	0005576	cellular_component	extracellular region
L	0005615	cellular_component	extracellular space
L	0006508	biological_process	proteolysis
L	0007586	biological_process	digestion
L	0008236	molecular_function	serine-type peptidase activity
L	0046872	molecular_function	metal ion binding
L	0097180	cellular_component	serine protease inhibitor complex
L	0097655	molecular_function	serpin family protein binding
M	0004175	molecular_function	endopeptidase activity
M	0004252	molecular_function	serine-type endopeptidase activity
M	0005515	molecular_function	protein binding
M	0005576	cellular_component	extracellular region
M	0005615	cellular_component	extracellular space
M	0006508	biological_process	proteolysis
M	0007586	biological_process	digestion
M	0008236	molecular_function	serine-type peptidase activity
M	0046872	molecular_function	metal ion binding
M	0097180	cellular_component	serine protease inhibitor complex
M	0097655	molecular_function	serpin family protein binding
N	0004175	molecular_function	endopeptidase activity
N	0004252	molecular_function	serine-type endopeptidase activity
N	0005515	molecular_function	protein binding
N	0005576	cellular_component	extracellular region
N	0005615	cellular_component	extracellular space
N	0006508	biological_process	proteolysis
N	0007586	biological_process	digestion
N	0008236	molecular_function	serine-type peptidase activity
N	0046872	molecular_function	metal ion binding
N	0097180	cellular_component	serine protease inhibitor complex
N	0097655	molecular_function	serpin family protein binding
O	0004175	molecular_function	endopeptidase activity
O	0004252	molecular_function	serine-type endopeptidase activity
O	0005515	molecular_function	protein binding
O	0005576	cellular_component	extracellular region
O	0005615	cellular_component	extracellular space
O	0006508	biological_process	proteolysis
O	0007586	biological_process	digestion
O	0008236	molecular_function	serine-type peptidase activity
O	0046872	molecular_function	metal ion binding
O	0097180	cellular_component	serine protease inhibitor complex
O	0097655	molecular_function	serpin family protein binding
P	0004175	molecular_function	endopeptidase activity
P	0004252	molecular_function	serine-type endopeptidase activity
P	0005515	molecular_function	protein binding
P	0005576	cellular_component	extracellular region
P	0005615	cellular_component	extracellular space
P	0006508	biological_process	proteolysis
P	0007586	biological_process	digestion
P	0008236	molecular_function	serine-type peptidase activity
P	0046872	molecular_function	metal ion binding
P	0097180	cellular_component	serine protease inhibitor complex
P	0097655	molecular_function	serpin family protein binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CA A 480

Chain	Residue
A	GLU70
A	ASN72
A	VAL75
A	GLU80

site_id	AC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE BEN A 481

Chain	Residue
A	GLY219
D	GLU97
D	PHE174
A	ASP189
A	ALA190
A	SER195
A	TRP215
A	GLY216

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CA B 480

Chain	Residue
B	GLU70
B	ASN72
B	VAL75
B	GLU80

site_id	AC4
Number of Residues	9
Details	BINDING SITE FOR RESIDUE BEN B 481

Chain	Residue
B	ASP189
B	ALA190
B	SER195
B	TRP215
B	GLY216
B	GLY219
B	CYS220
B	GLY226
F	PHE174

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CA C 480

Chain	Residue
C	GLU70
C	ASN72
C	VAL75
C	GLU80

site_id	AC6
Number of Residues	9
Details	BINDING SITE FOR RESIDUE BEN C 481

Chain	Residue
C	ASP189
C	ALA190
C	SER195
C	TRP215
C	GLY216
C	GLY219
C	CYS220
C	GLY226
E	PHE174

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CA D 480

Chain	Residue
D	GLU70
D	ASN72
D	VAL75
D	GLU80

site_id	AC8
Number of Residues	8
Details	BINDING SITE FOR RESIDUE BEN D 501

Chain	Residue
A	PHE174
D	ASP189
D	ALA190
D	CYS191
D	SER195
D	TRP215
D	GLY216
D	GLY219

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CA E 480

Chain	Residue
E	GLU70
E	ASN72
E	VAL75
E	GLU80

site_id	BC1
Number of Residues	8
Details	BINDING SITE FOR RESIDUE BEN E 501

Chain	Residue
C	GLU97
C	PHE174
E	ASP189
E	ALA190
E	SER195
E	GLY216
E	GLY219
E	GLY226

site_id	BC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CA F 480

Chain	Residue
F	GLU70
F	ASN72
F	VAL75
F	GLU80

site_id	BC3
Number of Residues	9
Details	BINDING SITE FOR RESIDUE BEN F 501

Chain	Residue
B	PHE174
F	ASP189
F	ALA190
F	CYS191
F	SER195
F	GLY216
F	GLY219
F	CYS220
F	GLY226

site_id	BC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CA G 480

Chain	Residue
G	GLU70
G	ASN72
G	VAL75
G	GLU80

site_id	BC5
Number of Residues	10
Details	BINDING SITE FOR RESIDUE BEN G 501

Chain	Residue
G	ASP189
G	ALA190
G	GLN192
G	SER195
G	TRP215
G	GLY216
G	GLY219
G	CYS220
G	GLY226
H	PHE174

site_id	BC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA H 480

Chain	Residue
H	GLU70
H	ASN72
H	VAL75
H	GLU77
H	GLU80

site_id	BC7
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL H 481

Chain	Residue
N	LYS169

site_id	BC8
Number of Residues	9
Details	BINDING SITE FOR RESIDUE BEN H 501

Chain	Residue
H	SER214
H	GLY216
H	GLY219
H	CYS220
H	GLY226
G	PHE174
H	ASP189
H	ALA190
H	SER195

site_id	BC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CA I 480

Chain	Residue
I	GLU70
I	ASN72
I	VAL75
I	GLU80

site_id	CC1
Number of Residues	8
Details	BINDING SITE FOR RESIDUE BEN I 501

Chain	Residue
I	ASP189
I	ALA190
I	SER195
I	VAL213
I	GLY216
I	GLY219
I	GLY226
N	PHE174

site_id	CC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CA J 480

Chain	Residue
J	GLU70
J	ASN72
J	VAL75
J	GLU80

site_id	CC3
Number of Residues	9
Details	BINDING SITE FOR RESIDUE BEN J 501

Chain	Residue
J	ASP189
J	ALA190
J	SER195
J	VAL213
J	TRP215
J	GLY216
J	GLY219
J	GLY226
P	PHE174

site_id	CC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA K 480

Chain	Residue
K	GLU70
K	ASN72
K	VAL75
K	GLU77
K	GLU80

site_id	CC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE BEN K 501

Chain	Residue
K	ASP189
K	ALA190
K	CYS191
K	SER195
K	TRP215
K	GLY216
K	GLY219
O	PHE174

site_id	CC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CA L 480

Chain	Residue
L	GLU70
L	ASN72
L	VAL75
L	GLU80

site_id	CC7
Number of Residues	10
Details	BINDING SITE FOR RESIDUE BEN L 501

Chain	Residue
L	ASP189
L	ALA190
L	CYS191
L	SER195
L	TRP215
L	GLY216
L	GLY219
L	CYS220
L	GLY226
M	PHE174

site_id	CC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA M 480

Chain	Residue
M	GLU70
M	ASN72
M	VAL75
M	GLU77
M	GLU80

site_id	CC9
Number of Residues	10
Details	BINDING SITE FOR RESIDUE BEN M 481

Chain	Residue
L	PHE174
M	ASP189
M	ALA190
M	CYS191
M	GLN192
M	TRP215
M	GLY216
M	GLY219
M	CYS220
M	GLY226

site_id	DC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA N 480

Chain	Residue
N	GLU70
N	ASN72
N	VAL75
N	VAL76
N	GLU80

site_id	DC2
Number of Residues	10
Details	BINDING SITE FOR RESIDUE BEN N 501

Chain	Residue
I	PHE174
N	ASP189
N	ALA190
N	CYS191
N	GLN192
N	SER195
N	TRP215
N	GLY216
N	GLY219
N	GLY226

site_id	DC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA O 480

Chain	Residue
O	GLU70
O	ASN72
O	VAL75
O	GLU77
O	GLU80

site_id	DC4
Number of Residues	10
Details	BINDING SITE FOR RESIDUE BEN O 501

Chain	Residue
K	PHE174
O	ASP189
O	ALA190
O	CYS191
O	SER195
O	TRP215
O	GLY216
O	GLY219
O	CYS220
O	GLY226

site_id	DC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA P 480

Chain	Residue
P	GLU70
P	ASN72
P	VAL75
P	GLU77
P	GLU80

site_id	DC6
Number of Residues	9
Details	BINDING SITE FOR RESIDUE BEN P 501

Chain	Residue
J	PHE174
P	ASP189
P	ALA190
P	SER195
P	VAL213
P	TRP215
P	GLY216
P	GLY219
P	GLY226

site_id	DC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL P 502

Chain	Residue
P	THR177
P	SER178

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	VAL53-CYS58

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

Chain	Residue	Details
A	ASP189-VAL200

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	48
Details	ACT_SITE: Charge relay system

Chain	Residue	Details
A	HIS57
D	HIS57
D	ASP102
D	SER195
E	HIS57
E	ASP102
E	SER195
F	HIS57
F	ASP102
F	SER195
G	HIS57
A	ASP102
G	ASP102
G	SER195
H	HIS57
H	ASP102
H	SER195
I	HIS57
I	ASP102
I	SER195
J	HIS57
J	ASP102
A	SER195
J	SER195
K	HIS57
K	ASP102
K	SER195
L	HIS57
L	ASP102
L	SER195
M	HIS57
M	ASP102
M	SER195
B	HIS57
N	HIS57
N	ASP102
N	SER195
O	HIS57
O	ASP102
O	SER195
P	HIS57
P	ASP102
P	SER195
B	ASP102
B	SER195
C	HIS57
C	ASP102
C	SER195

site_id	SWS_FT_FI2
Number of Residues	112
Details	BINDING:

Chain	Residue	Details
A	GLU70
B	VAL75
O	ASN72
O	VAL75
O	GLU80
O	ASP189
O	GLN192
O	SER195
P	GLU70
P	ASN72
P	VAL75
P	GLU80
B	GLU80
P	ASP189
P	GLN192
P	SER195
B	ASP189
B	GLN192
B	SER195
C	GLU70
C	ASN72
C	VAL75
C	GLU80
C	ASP189
A	ASN72
C	GLN192
C	SER195
D	GLU70
D	ASN72
D	VAL75
D	GLU80
D	ASP189
D	GLN192
D	SER195
E	GLU70
A	VAL75
E	ASN72
E	VAL75
E	GLU80
E	ASP189
E	GLN192
E	SER195
F	GLU70
F	ASN72
F	VAL75
F	GLU80
A	GLU80
F	ASP189
F	GLN192
F	SER195
G	GLU70
G	ASN72
G	VAL75
G	GLU80
G	ASP189
G	GLN192
G	SER195
A	ASP189
H	GLU70
H	ASN72
H	VAL75
H	GLU80
H	ASP189
H	GLN192
H	SER195
I	GLU70
I	ASN72
I	VAL75
A	GLN192
I	GLU80
I	ASP189
I	GLN192
I	SER195
J	GLU70
J	ASN72
J	VAL75
J	GLU80
J	ASP189
J	GLN192
A	SER195
J	SER195
K	GLU70
K	ASN72
K	VAL75
K	GLU80
K	ASP189
K	GLN192
K	SER195
L	GLU70
L	ASN72
B	GLU70
L	VAL75
L	GLU80
L	ASP189
L	GLN192
L	SER195
M	GLU70
M	ASN72
M	VAL75
M	GLU80
M	ASP189
B	ASN72
M	GLN192
M	SER195
N	GLU70
N	ASN72
N	VAL75
N	GLU80
N	ASP189
N	GLN192
N	SER195
O	GLU70

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