4Y10

Trypsin in complex with with BPTI mutant (2S)-2-amino-4,4-difluorobutanoic acid

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	binding site for residue SO4 E 301

Chain	Residue
E	LYS169
E	PRO173
E	GLY174
E	HOH473
E	HOH481
E	HOH510

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site_id	AC2
Number of Residues	9
Details	binding site for residue SO4 E 302

Chain	Residue
E	HOH409
E	HOH434
E	HOH515
E	HOH566
E	HOH412
I	LYS46
E	TYR59
E	LYS60
E	SER61

---

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

Chain	Residue
E	LYS87
E	LYS107
E	HOH446

---

site_id	AC4
Number of Residues	4
Details	binding site for residue SO4 E 304

Chain	Residue
E	ASN95
E	THR98
E	ASN100
E	HOH417

---

site_id	AC5
Number of Residues	5
Details	binding site for residue SO4 E 305

Chain	Residue
E	THR177
E	SER178
E	SO4306
E	HOH490
E	HOH595

---

site_id	AC6
Number of Residues	5
Details	binding site for residue SO4 E 306

Chain	Residue
E	ASN100
E	ASN179
E	SO4305
E	HOH401
E	HOH423

---

site_id	AC7
Number of Residues	4
Details	binding site for residue GOL E 307

Chain	Residue
E	TYR20
E	CYS22
E	THR26
E	VAL27

---

site_id	AC8
Number of Residues	6
Details	binding site for residue CA E 308

Chain	Residue
E	GLU70
E	ASN72
E	VAL75
E	GLU80
E	HOH476
E	HOH408

---

site_id	AC9
Number of Residues	7
Details	binding site for residue SO4 I 101

Chain	Residue
I	GLU7
I	ARG42
I	HOH209
I	HOH236
I	HOH202
I	HOH224
I	HOH255

---

site_id	AD1
Number of Residues	7
Details	binding site for residue SO4 I 102

Chain	Residue
I	PRO9
I	TYR10
I	THR11
I	GLY12
I	HOH263
I	HOH241
I	HOH253

---

site_id	AD2
Number of Residues	7
Details	binding site for residue SO4 I 103

Chain	Residue
I	ARG20
I	TYR35
I	HOH205
I	HOH234
I	HOH246
I	HOH207
I	HOH264

---

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	ASP191-VAL202

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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
I	PHE33-CYS51

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Functional Information from SwissProt/UniProt

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

Chain	Residue	Details
I	OBF15
E	ASP102
E	SER197

---

site_id	SWS_FT_FI2
Number of Residues	7
Details	BINDING:

Chain	Residue	Details
E	GLU70
E	ASN72
E	VAL75
E	GLU80
E	ASP191
E	GLN194
E	SER197

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