3GY5

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	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 1

Chain	Residue
A	HOH15
A	GLU70
A	ASN72
A	VAL75
A	GLU80
A	HOH304

---

site_id	AC2
Number of Residues	17
Details	BINDING SITE FOR RESIDUE BRN A 246

Chain	Residue
A	SER190
A	CYS191
A	GLN192
A	SER195
A	VAL213
A	SER214
A	TRP215
A	GLY216
A	GLY219
A	GLY226
A	SO4252
A	HOH289
A	HOH492
A	HOH512
A	HIS57
A	SER96
A	ASP189

---

site_id	AC3
Number of Residues	10
Details	BINDING SITE FOR RESIDUE EDO A 247

Chain	Residue
A	EDO2
A	HOH15
A	ARG66
A	ILE73
A	ASN74
A	VAL76
A	VAL90
A	HIS91
A	PRO92
A	HOH482

---

site_id	AC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EDO A 2

Chain	Residue
A	TYR39
A	HIS40
A	ILE73
A	ASN74
A	VAL90
A	EDO247
A	HOH378
A	HOH430

---

site_id	AC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO A 3

Chain	Residue
A	VAL76
A	PHE82
A	HOH314
A	HOH368
A	HOH481
A	HOH495
A	HOH502

---

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

Chain	Residue
A	LYS145
A	SER146
A	SER147
A	HOH473

---

site_id	AC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO A 5

Chain	Residue
A	VAL76
A	ASN95
A	SER96
A	ASN97
A	HOH295
A	HOH481
A	HOH537

---

site_id	AC8
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EDO A 6

Chain	Residue
A	CYS128
A	ALA129
A	ILE162
A	PHE181
A	GLN210
A	LYS230
A	HOH308
A	HOH391

---

site_id	AC9
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EDO A 7

Chain	Residue
A	ASN97
A	THR98
A	LYS159
A	GLN175
A	TRP215
A	SO4253
A	HOH549
A	HOH563

---

site_id	BC1
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SO4 A 248

Chain	Residue
A	PRO124
A	THR125
A	SER127
A	SER147
A	GLY148
A	LYS204
A	HOH398
A	HOH499
A	HOH513

---

site_id	BC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 A 249

Chain	Residue
A	LYS169
A	PRO173
A	GLY174
A	HOH374
A	HOH415
A	HOH463

---

site_id	BC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 A 250

Chain	Residue
A	LYS87
A	LYS107
A	THR149
A	HOH377
A	HOH396
A	HOH444
A	HOH523
A	HOH565

---

site_id	BC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 251

Chain	Residue
A	SER178
A	HOH465
A	HOH498
A	THR177

---

site_id	BC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 A 252

Chain	Residue
A	HIS57
A	GLN192
A	GLY193
A	SER195
A	BRN246
A	HOH360
A	HOH361
A	HOH362

---

site_id	BC6
Number of Residues	11
Details	BINDING SITE FOR RESIDUE SO4 A 253

Chain	Residue
A	EDO7
A	TYR20
A	CYS22
A	THR26
A	VAL27
A	LEU137
A	CYS157
A	GLN175
A	HOH330
A	HOH386
A	HOH549

---

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	3
Details	ACT_SITE: Charge relay system

Chain	Residue	Details
A	HIS57
A	ASP102
A	SER195

---

site_id	SWS_FT_FI2
Number of Residues	7
Details	BINDING:

Chain	Residue	Details
A	GLU70
A	ASN72
A	VAL75
A	GLU80
A	ASP189
A	GLN192
A	SER195

---