3GY7

A comparative study on the inhibition of bovine beta-trypsin by bis-benzamidines diminazene and pentamidine by X-ray crystallography and ITC

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA A 247

Chain	Residue
A	GLU70
A	ASN72
A	VAL75
A	GLU80
A	HOH275
A	HOH279

---

site_id	AC2
Number of Residues	10
Details	BINDING SITE FOR RESIDUE BEN A 1

Chain	Residue
A	SER195
A	VAL213
A	GLY219
A	GLY226
A	SO4249
A	HOH280
A	HOH455
A	ASP189
A	SER190
A	GLN192

---

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 246

Chain	Residue
A	ASN95
A	THR98
A	ASN100
A	HOH374
A	HOH436
A	HOH473

---

site_id	AC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO A 2

Chain	Residue
A	EDO3
A	ASN97
A	LEU99
A	LYS159
A	TRP215
A	HOH381
A	HOH468

---

site_id	AC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EDO A 3

Chain	Residue
A	EDO2
A	GLN135
A	LEU137
A	LYS159
A	HOH259
A	HOH344
A	HOH453
A	HOH475

---

site_id	AC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO A 4

Chain	Residue
A	ALA129
A	ASP165
A	PHE181
A	LYS230
A	HOH327
A	HOH425
A	HOH441

---

site_id	AC7
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 A 248

Chain	Residue
A	LYS87
A	LYS107
A	THR149
A	TYR151
A	HOH297
A	HOH319
A	HOH411
A	HOH445

---

site_id	AC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 A 249

Chain	Residue
A	BEN1
A	HIS57
A	GLN192
A	GLY193
A	SER195
A	HOH328
A	HOH447

---

site_id	AC9
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SO4 A 250

Chain	Residue
A	PRO124
A	THR125
A	SER127
A	SER147
A	GLY148
A	LYS204
A	HOH205
A	HOH336
A	HOH429
A	HOH434

---

site_id	BC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A 251

Chain	Residue
A	LYS145
A	SER146
A	SER147

---

site_id	BC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 5

Chain	Residue
A	SO46
A	THR177
A	SER178
A	HOH405
A	HOH435

---

site_id	BC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 A 6

Chain	Residue
A	SO45
A	SER178
A	ASN179
A	HOH390
A	HOH405
A	HOH451

---

site_id	BC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 7

Chain	Residue
A	PRO173
A	GLY174
A	HOH302
A	HOH361
A	HOH403

---

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. DScqGDSGGPVV

Chain	Residue	Details
A	ASP189-VAL200

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	220
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	3
Details	Active site: {"description":"Charge relay system"}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	7
Details	Binding site: {}

Chain

Residue

Details

---