2G81

Crystal Structure of the Bowman-Birk Inhibitor from Vigna unguiculata Seeds in Complex with Beta-trypsin at 1.55 Angstrons Resolution

Functional Information from GO Data

Chain	GOid	namespace	contents
E	0004175	molecular_function	endopeptidase activity
E	0004252	molecular_function	serine-type endopeptidase activity
E	0005515	molecular_function	protein binding
E	0005576	cellular_component	extracellular region
E	0005615	cellular_component	extracellular space
E	0006508	biological_process	proteolysis
E	0007586	biological_process	digestion
E	0008233	molecular_function	peptidase activity
E	0008236	molecular_function	serine-type peptidase activity
E	0016787	molecular_function	hydrolase activity
E	0046872	molecular_function	metal ion binding
E	0097180	cellular_component	serine protease inhibitor complex
E	0097655	molecular_function	serpin family protein binding
I	0004867	molecular_function	serine-type endopeptidase inhibitor activity
I	0005576	cellular_component	extracellular region

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA E 401

Chain	Residue
E	GLU70
E	ASN72
E	VAL75
E	GLU80
E	HOH742
E	HOH746

---

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 E 501

Chain	Residue
E	HOH857
E	HOH883
E	HOH913
E	ASN95
E	THR98
E	ASN100

---

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 E 502

Chain	Residue
E	ARG66
E	HOH760
E	HOH802
I	ASP20
I	ARG21
I	HOH753

---

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 E 503

Chain	Residue
E	LYS87
E	ASN95
E	ASN97
E	LYS107

---

site_id	AC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 E 504

Chain	Residue
E	SER150
E	TYR151
E	LYS169
E	GLY174
E	HOH722
E	HOH782
E	HOH858

---

site_id	AC6
Number of Residues	14
Details	BINDING SITE FOR RESIDUE P6G I 701

Chain	Residue
E	SER96
E	ASN97
E	THR98
E	LEU99
E	PRO173
E	GLN175
E	TRP215
E	HOH761
I	GLU23
I	THR25
I	GLN31
I	ARG33
I	HOH725
I	HOH766

---

site_id	AC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE PGE E 702

Chain	Residue
E	GLY18
E	TYR184
E	GLU186
E	GLY187
E	LYS188
E	GLY188
E	HOH884

---

site_id	AC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO E 703

Chain	Residue
E	TYR20
E	CYS22
E	THR26

---

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ACY E 601

Chain	Residue
E	LYS145
E	SER146
E	SER147
E	HOH867

---

site_id	BC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ACY E 602

Chain	Residue
E	GLY148
E	THR149
E	HOH759
E	HOH848

---

Functional Information from PROSITE/UniProt

site_id	PS00281
Number of Residues	16
Details	BOWMAN_BIRK Bowman-Birk serine protease inhibitors family signature. CsdvrlnSCHSACKSC

Chain	Residue	Details
I	CYS34-CYS49

---

site_id	PS00134
Number of Residues	6
Details	TRYPSIN_HIS Serine proteases, trypsin family, histidine active site. VSAAHC

Chain	Residue	Details
E	VAL53-CYS58

---

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

Chain	Residue	Details
E	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","evidences":[{"evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	Site: {"description":"Reactive bond for chymotrypsin","evidences":[{"evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	2
Details	Annotated By Reference To The Literature 1a0j

Chain	Residue	Details
E	ASP102
E	HIS57

---

site_id	CSA2
Number of Residues	2
Details	Annotated By Reference To The Literature 1a0j

Chain	Residue	Details
E	SER195
E	GLY196

---

site_id	CSA3
Number of Residues	2
Details	Annotated By Reference To The Literature 1a0j

Chain	Residue	Details
E	SER195
E	GLY193

---

site_id	CSA4
Number of Residues	3
Details	Annotated By Reference To The Literature 1a0j

Chain	Residue	Details
E	ASP102
E	SER195
E	HIS57

---

site_id	CSA5
Number of Residues	4
Details	Annotated By Reference To The Literature 1a0j

Chain	Residue	Details
E	ASP102
E	SER195
E	GLY193
E	HIS57

---

site_id	CSA6
Number of Residues	4
Details	Annotated By Reference To The Literature 1a0j

Chain	Residue	Details
E	ASP102
E	SER195
E	HIS57
E	GLY196

---