4ABI

Co-complex structure of bovine trypsin with a modified Bowman-Birk inhibitor (PtA)SFTI-1(1,14), that was 1,4-disubstituted with a 1,2,3- trizol to mimic a trans amide bond

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA A 1239

Chain	Residue
A	GLU67
A	ASN69
A	VAL72
A	GLU77
A	HOH2084
A	HOH2085

---

site_id	AC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE DMF A 1240

Chain	Residue
A	TYR20
A	CYS22
A	THR26

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE DMF A 1241

Chain	Residue
A	ILE45
A	ASN46
A	LEU120
A	LYS232

---

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE DMF A 1242

Chain	Residue
A	ASN92
A	THR95
A	ASN97
A	HOH2114

---

site_id	AC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A 1243

Chain	Residue
A	GLN130
A	LYS154
A	VAL197
A	CYS198
A	SER199
A	GLY200
A	HOH2169

---

site_id	AC6
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL A 1244

Chain	Residue
A	ALA125
A	ALA127
A	ILE157
A	LEU158
A	ASP160
A	PHE176
A	LYS223
A	HOH2163
A	HOH2190

---

site_id	AC7
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL A 1245

Chain	Residue
A	HIS38
A	ILE70
A	ALA127
A	TYR146
A	HOH2047
A	HOH2171
A	HOH2241
B	ILE7

---

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL A 1246

Chain	Residue
A	ASP148
A	VAL149
A	LYS151
A	HOH2175

---

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL A 1247

Chain	Residue
A	ASN46
A	SER47
A	GLN48
A	HOH2150

---

site_id	BC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL A 1248

Chain	Residue
A	ILE171
A	THR172
A	SER173
A	HOH2242

---

site_id	BC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL A 1249

Chain	Residue
A	HIS55
A	TYR57
A	LYS58
A	HOH2045
A	HOH2243
B	SER6

---

site_id	BC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 A 1250

Chain	Residue
A	LYS164
A	PRO168
A	GLY169
A	GLN233
A	HOH2199
A	HOH2201
A	HOH2244

---

site_id	BC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 A 1251

Chain	Residue
A	ARG64
A	SER161
A	SER162
A	SER165
A	HOH2082
A	HOH2197
A	HOH2246
A	HOH2247

---

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	VAL51-CYS56

---

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

Chain	Residue	Details
A	ASP186-VAL197

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	SITE: Reactive bond => ECO:0000250|UniProtKB:P81705

Chain	Residue	Details
B	LYS5
A	ASP99
A	SER192

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	CROSSLNK: Cyclopeptide (Gly-Asp)

Chain	Residue	Details
B	GLY1
A	VAL72
A	GLU77
A	ASP186
A	GLN189
A	SER192
A	ASN69

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