3FP6

Anionic trypsin in complex with bovine pancreatic trypsin inhibitor (BPTI) determined to the 1.49 A resolution limit

Functional Information from GO Data

Chain	GOid	namespace	contents
E	0004252	molecular_function	serine-type endopeptidase activity
E	0005509	molecular_function	calcium ion binding
E	0005515	molecular_function	protein binding
E	0005576	cellular_component	extracellular region
E	0005615	cellular_component	extracellular space
E	0006508	biological_process	proteolysis
E	0007584	biological_process	response to nutrient
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	0030574	biological_process	collagen catabolic process
E	0046872	molecular_function	metal ion binding
I	0004867	molecular_function	serine-type endopeptidase inhibitor activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	9
Details	BINDING SITE FOR RESIDUE EDO E 501

Chain	Residue
E	ASN34
E	GLY38
E	TYR39
E	HIS40
E	ARG67
E	ILE73
E	HOH709
E	HOH718
E	HOH779

---

site_id	AC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO E 502

Chain	Residue
E	ASN100
E	ASN101
E	ASN179

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO E 503

Chain	Residue
E	TYR59
E	ILE88
E	LYS90
E	ASP236

---

site_id	AC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO E 504

Chain	Residue
E	ASN143
E	CYS191
E	GLN192
E	HOH784
E	HOH884
E	HOH890
I	VAL34

---

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO E 505

Chain	Residue
E	ILE47
E	ASN48
E	LEU123
E	GLN239
E	HOH823
E	HOH830

---

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO E 506

Chain	Residue
E	LYS97
E	THR98
E	TRP215
E	TYR217
E	HOH864
E	HOH900

---

site_id	AC7
Number of Residues	9
Details	BINDING SITE FOR RESIDUE EDO E 507

Chain	Residue
E	TYR217
E	GLY219
E	HOH895
I	ASP3
I	TYR10
I	GLY12
I	PRO13
I	EDO508
I	HOH713

---

site_id	AC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE PG4 E 509

Chain	Residue
E	GLY18
E	PHE184
E	GLU186
E	GLY187
E	GLY188
E	LYS188
E	HOH911

---

site_id	AC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA E 601

Chain	Residue
E	GLU70
E	ASN72
E	VAL75
E	GLU77
E	GLU80
E	HOH776

---

site_id	BC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 E 602

Chain	Residue
E	LYS175
E	HOH858
E	HOH900
I	ARG39
I	ARG42
I	HOH718

---

site_id	BC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO I 508

Chain	Residue
E	EDO507
I	ASP3
I	PHE4
I	TYR10
I	LYS41
I	SO4605

---

site_id	BC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 I 603

Chain	Residue
I	ARG20
I	TYR35
I	ALA40
I	HOH717
I	HOH741
I	HOH748
I	HOH751
I	HOH752

---

site_id	BC4
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SO4 I 604

Chain	Residue
E	LYS60
E	HOH751
E	HOH852
I	ILE18
I	ILE19
I	ARG20
I	HOH742
I	HOH761
I	HOH763

---

site_id	BC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 I 605

Chain	Residue
I	LYS41
I	ARG42
I	EDO508
I	HOH701
I	HOH708
I	HOH730
I	HOH731

---

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
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

---

site_id	PS00280
Number of Residues	19
Details	BPTI_KUNITZ_1 Pancreatic trypsin inhibitor (Kunitz) family signature. FvyGGCrakrnnFksaedC

Chain	Residue	Details
I	PHE33-CYS51

---

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	4
Details	Binding site: {}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	Site: {"description":"Required for specificity","evidences":[{"evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	50
Details	Domain: {"description":"BPTI/Kunitz inhibitor","evidences":[{"source":"PROSITE-ProRule","id":"PRU00031","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	1
Details	Site: {"description":"Reactive bond for trypsin"}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	3
Details	Annotated By Reference To The Literature 1a0j

Chain	Residue	Details
E	ASP102
E	SER195
E	HIS57

---

site_id	CSA2
Number of Residues	4
Details	Annotated By Reference To The Literature 1a0j

Chain	Residue	Details
E	ASP102
E	SER195
E	HIS57
E	GLY196

---

site_id	CSA3
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	CSA4
Number of Residues	2
Details	Annotated By Reference To The Literature 1a0j

Chain	Residue	Details
E	ASP102
E	HIS57

---

site_id	CSA5
Number of Residues	2
Details	Annotated By Reference To The Literature 1a0j

Chain	Residue	Details
E	SER195
E	GLY193

---

site_id	CSA6
Number of Residues	2
Details	Annotated By Reference To The Literature 1a0j

Chain	Residue	Details
E	SER195
E	GLY196

---

site_id	CSA7
Number of Residues	4
Details	Annotated By Reference To The Literature 1a0j

Chain	Residue	Details
E	SER195
E	GLY193
E	ASP95
E	HIS57

---