4WWY

human cationic trypsin G193R mutant in complex with bovine pancreatic trypsin inhibitor

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004252	molecular_function	serine-type endopeptidase activity
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	0022617	biological_process	extracellular matrix disassembly
A	0046872	molecular_function	metal ion binding
A	0062023	cellular_component	collagen-containing extracellular matrix
A	0072562	cellular_component	blood microparticle
B	0004252	molecular_function	serine-type endopeptidase activity
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	0022617	biological_process	extracellular matrix disassembly
B	0046872	molecular_function	metal ion binding
B	0062023	cellular_component	collagen-containing extracellular matrix
B	0072562	cellular_component	blood microparticle
C	0004867	molecular_function	serine-type endopeptidase inhibitor activity
I	0004867	molecular_function	serine-type endopeptidase inhibitor activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	binding site for residue SO4 A 301

Chain	Residue
A	LYS60
A	SER61
A	HOH489
C	LYS46

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site_id	AC2
Number of Residues	3
Details	binding site for residue SO4 A 302

Chain	Residue
A	THR177
A	SER178
A	HOH526

---

site_id	AC3
Number of Residues	3
Details	binding site for residue SO4 A 303

Chain	Residue
A	HOH536
A	ARG111
A	HOH433

---

site_id	AC4
Number of Residues	4
Details	binding site for residue CA B 301

Chain	Residue
B	HIS40
B	ARG66
B	GLU70
B	ILE73

---

site_id	AC5
Number of Residues	6
Details	binding site for residue SO4 B 302

Chain	Residue
B	LYS97
B	LEU99
B	LYS175
B	TRP215
B	HOH422
I	ARG39

---

site_id	AC6
Number of Residues	11
Details	binding site for residue SO4 C 101

Chain	Residue
A	ARG96
A	HOH429
C	ARG20
C	TYR35
C	GLY37
C	ARG39
C	ALA40
C	HOH201
C	HOH202
C	HOH209
C	HOH233

---

site_id	AC7
Number of Residues	5
Details	binding site for residue SO4 C 102

Chain	Residue
C	GLU7
C	ARG42
C	HOH210
C	HOH214
C	HOH215

---

site_id	AC8
Number of Residues	4
Details	binding site for residue SO4 I 101

Chain	Residue
I	GLU7
I	LYS41
I	ARG42
I	HOH222

---

site_id	AC9
Number of Residues	9
Details	binding site for residue SO4 I 102

Chain	Residue
B	ARG96
B	HOH452
I	ARG20
I	TYR35
I	GLY37
I	ARG39
I	ALA40
I	HOH202
I	HOH206

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	VAL53-CYS58

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site_id	PS00280
Number of Residues	19
Details	BPTI_KUNITZ_1 Pancreatic trypsin inhibitor (Kunitz) family signature. FvyGGCrakrnnFksaedC

Chain	Residue	Details
C	PHE33-CYS51

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	SITE: Reactive bond for trypsin

Chain	Residue	Details
C	LYS15
I	LYS15
A	SER195
B	HIS57
B	ASP102
B	SER195

---

site_id	SWS_FT_FI2
Number of Residues	8
Details	BINDING:

Chain	Residue	Details
A	GLU70
A	ASN72
A	VAL75
A	GLU80
B	GLU70
B	ASN72
B	VAL75
B	GLU80

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	SITE: Required for specificity => ECO:0000250

Chain	Residue	Details
A	ASP189
B	ASP189

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site_id	SWS_FT_FI4
Number of Residues	2
Details	MOD_RES: Sulfotyrosine => ECO:0000305|PubMed:17087724, ECO:0000305|PubMed:25010489

Chain	Residue	Details
A	TYR151
B	TYR151

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