3GY4

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	HOH502
A	HOH516

---

site_id	AC2
Number of Residues	11
Details	BINDING SITE FOR RESIDUE PBZ A 1

Chain	Residue
A	SER195
A	TRP215
A	GLY216
A	GLY219
A	CYS220
A	GLY226
A	HOH512
A	HOH515
A	SO46
A	ASP189
A	SER190

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A 246

Chain	Residue
A	GLU80
A	GLN81
A	PHE82
A	HOH281

---

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 2

Chain	Residue
A	ASN95
A	THR98
A	ASN100
A	HOH439
A	HOH572
A	HOH573

---

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 3

Chain	Residue
A	ARG117
A	SER170
A	HOH346
A	HOH389
A	HOH438

---

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 4

Chain	Residue
A	SER164
A	ASP165
A	SER166
A	HOH322
A	HOH352
A	HOH424

---

site_id	AC7
Number of Residues	10
Details	BINDING SITE FOR RESIDUE EDO A 5

Chain	Residue
A	ARG66
A	ILE73
A	ASN74
A	VAL75
A	VAL90
A	HIS91
A	PRO92
A	HOH272
A	HOH387
A	HOH516

---

site_id	AC8
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 A 248

Chain	Residue
A	LYS87
A	LYS107
A	THR149
A	HOH395
A	HOH413
A	HOH469
A	HOH535
A	HOH599

---

site_id	AC9
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SO4 A 249

Chain	Residue
A	PRO124
A	THR125
A	SER127
A	SER147
A	GLY148
A	LYS204
A	HOH378
A	HOH450
A	HOH488

---

site_id	BC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 A 250

Chain	Residue
A	HOH11
A	LYS169
A	PRO173
A	GLY174
A	HOH438
A	HOH473
A	HOH481

---

site_id	BC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 251

Chain	Residue
A	LYS145
A	SER146
A	SER147
A	HOH595

---

site_id	BC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 252

Chain	Residue
A	THR177
A	SER178
A	HOH283
A	HOH482
A	HOH540

---

site_id	BC4
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SO4 A 6

Chain	Residue
A	PBZ1
A	HIS57
A	GLN192
A	GLY193
A	SER195
A	HOH383
A	HOH394
A	HOH455
A	HOH483
A	HOH548

---

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

---