3FP8

Anionic trypsin variant S195A in complex with bovine pancreatic trypsin inhibitor (BPTI) 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	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	8
Details	BINDING SITE FOR RESIDUE EDO E 501

Chain	Residue
E	ASN34
E	GLY38
E	TYR39
E	HIS40
E	ARG67
E	HOH770
E	HOH817
E	HOH882

---

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO E 502

Chain	Residue
E	ASN48
E	LEU123
E	GLN239
E	HOH755
E	HOH841
E	ILE47

---

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	HOH763
E	HOH919
E	HOH923
I	VAL34

---

site_id	AC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO E 505

Chain	Residue
E	LYS97
E	THR98
E	LYS175
E	TYR217
E	HOH892
E	HOH926
I	ARG39

---

site_id	AC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE PG4 E 507

Chain	Residue
E	GLY18
E	PHE184
E	GLU186
E	GLY187
E	GLY188
E	LYS188
E	HOH824

---

site_id	AC7
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	HOH759

---

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 E 602

Chain	Residue
E	LYS175
E	HOH881
E	HOH926
I	ARG39
I	ARG42
I	HOH715

---

site_id	AC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO I 506

Chain	Residue
I	ASP3
I	PHE4
I	TYR10
I	LYS41
I	SO4604

---

site_id	BC1
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SO4 I 603

Chain	Residue
E	HOH819
I	ARG20
I	TYR35
I	ALA40
I	HOH722
I	HOH744
I	HOH745
I	HOH746
I	HOH749

---

site_id	BC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 I 604

Chain	Residue
I	LYS41
I	ARG42
I	EDO506
I	HOH705
I	HOH707
I	HOH741
I	HOH756

---

site_id	BC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 I 605

Chain	Residue
E	HOH861
I	ILE18
I	ILE19
I	ARG20
I	LYS46
I	HOH755
I	HOH758
I	HOH772

---

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
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	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

---