6EAT

Crystallographic structure of the cyclic nonapeptide derived from the BTCI inhibitor bound to beta-trypsin in space group P 21 21 21.

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 301

Chain	Residue
A	GLU70
A	ASN72
A	VAL75
A	GLU80
A	HOH427
A	HOH521

---

site_id	AC2
Number of Residues	6
Details	binding site for residue SO4 A 302

Chain	Residue
A	HOH408
A	HOH430
A	HOH609
A	SER164
A	ASP165
A	HOH405

---

site_id	AC3
Number of Residues	5
Details	binding site for residue SO4 A 303

Chain	Residue
A	LYS169
A	PRO173
A	GLY174
A	HOH486
A	HOH551

---

site_id	AC4
Number of Residues	7
Details	binding site for residue SO4 A 304

Chain	Residue
A	PRO152
A	ASP153
A	VAL154
A	LYS156
A	HOH481
A	HOH544
A	HOH649

---

site_id	AC5
Number of Residues	3
Details	binding site for residue SO4 A 305

Chain	Residue
A	SER110
A	HOH545
A	HOH591

---

site_id	AC6
Number of Residues	6
Details	binding site for residue SO4 A 306

Chain	Residue
A	ILE47
A	ASN48
A	LEU123
A	ILE238
A	ILE242
A	HOH629

---

site_id	AC7
Number of Residues	6
Details	binding site for residue SO4 A 307

Chain	Residue
A	ASN95
A	THR98
A	ASN100
A	HOH456
A	HOH495
A	HOH527

---

site_id	AC8
Number of Residues	9
Details	binding site for residue SO4 A 308

Chain	Residue
A	CYS128
A	ALA129
A	SER130
A	THR134
A	SER202
A	HOH409
A	HOH413
A	HOH421
A	HOH437

---

site_id	AC9
Number of Residues	4
Details	binding site for residue SO4 A 309

Chain	Residue
A	LYS145
A	SER146
A	SER147
A	HOH647

---

site_id	AD1
Number of Residues	6
Details	binding site for residue SO4 A 310

Chain	Residue
A	THR144
A	LYS156
A	HOH407
A	HOH439
A	HOH449
A	HOH511

---

site_id	AD2
Number of Residues	6
Details	binding site for residue SO4 A 311

Chain	Residue
A	SER217
A	GLY219
A	HOH410
A	HOH411
I	CYS1
I	HOH107

---

site_id	AD3
Number of Residues	9
Details	binding site for residue SO4 A 312

Chain	Residue
A	ARG66
A	PHE82
A	SER166
A	SER167
A	SER170
A	HOH402
A	HOH489
A	HOH493
A	HOH642

---

site_id	AD4
Number of Residues	6
Details	binding site for residue SO4 A 313

Chain	Residue
A	CYS232
A	ASN233
A	TYR234
A	VAL235
A	SER236
A	HOH589

---

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

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	Site: {"description":"Reactive bond for trypsin"}

Chain

Residue

Details

---