3FP7

Anionic trypsin variant S195A in complex with bovine pancreatic trypsin inhibitor (BPTI) cleaved at the scissile bond (LYS15-ALA16) determined to the 1.46 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	0008236	molecular_function	serine-type peptidase activity
E	0030574	biological_process	collagen catabolic process
E	0046872	molecular_function	metal ion binding
J	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	ASN74
E	HOH794
E	HOH843

---

site_id	AC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO E 502

Chain	Residue
E	ILE47
E	ASN48
E	LEU123
E	GLN239
E	ILE242
E	HOH793
E	HOH830

---

site_id	AC3
Number of Residues	10
Details	BINDING SITE FOR RESIDUE EDO E 503

Chain	Residue
E	LYS97
E	THR98
E	LYS175
E	TYR217
E	HOH799
E	HOH818
E	HOH927
E	HOH961
I	PRO13
J	ARG39

---

site_id	AC4
Number of Residues	10
Details	BINDING SITE FOR RESIDUE EDO E 504

Chain	Residue
E	GLY216
E	TYR217
E	GLY219
I	ASP3
I	TYR10
I	GLY12
I	EDO505
I	HOH707
I	HOH709
I	HOH723

---

site_id	AC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE PG4 E 506

Chain	Residue
E	GLY18
E	PHE184
E	GLU186
E	GLY187
E	GLY188
E	LYS188
E	HOH739

---

site_id	AC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE CA E 601

Chain	Residue
E	GLU70
E	ASN72
E	VAL75
E	GLU77
E	GLU80
E	HOH708
E	HOH907

---

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO I 505

Chain	Residue
E	EDO504
I	ASP3
I	PHE4
I	TYR10
J	LYS41
J	SO4603

---

site_id	AC8
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SO4 J 602

Chain	Residue
E	HOH808
J	ARG20
J	TYR35
J	GLY37
J	ALA40
J	HOH711
J	HOH717
J	HOH719
J	HOH735

---

site_id	AC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 J 603

Chain	Residue
I	EDO505
J	LYS41
J	ARG42
J	HOH703
J	HOH708
J	HOH731
J	HOH746

---

site_id	BC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 J 604

Chain	Residue
E	LYS175
I	HOH711
J	ARG39
J	ARG42

---

site_id	BC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 J 605

Chain	Residue
J	ILE18
J	ILE19
J	ARG20
J	HOH745
J	HOH748
J	HOH749

---

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

Chain	Residue	Details
J	PHE33-CYS51

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	SITE: Reactive bond for trypsin

Chain	Residue	Details
I	LYS15
E	ASP102
E	ALA195

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	BINDING:

Chain	Residue	Details
E	GLU70
E	ASN72
E	VAL75
E	GLU80

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	SITE: Required for specificity => ECO:0000250

Chain	Residue	Details
E	ASP189

---

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	ALA195
E	HIS57

---

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

Chain	Residue	Details
E	ASP102
E	ALA195
E	GLY193
E	HIS57

---

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

Chain	Residue	Details
E	ASP102
E	HIS57

---

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

Chain	Residue	Details
E	ALA195
E	GLY193

---

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

Chain	Residue	Details
E	ALA195
E	GLY196

---

site_id	CSA6
Number of Residues	7
Details	Annotated By Reference To The Literature 1a0j

Chain	Residue	Details
E	GLN192
E	ASP102
E	ALA195
E	GLY193
E	CYS191
E	HIS57
E	ASP194

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