2FTL

Crystal structure of trypsin complexed with BPTI at 100K

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE NA E 1001

Chain	Residue
E	ASP71
E	GLU77

---

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA E 1002

Chain	Residue
E	GLU70
E	ASN72
E	VAL75
E	GLU80
E	HOH1019
E	HOH1023

---

site_id	AC3
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SO4 E 1008

Chain	Residue
E	LYS60
E	SER61
E	HOH1074
E	HOH1129
E	HOH1161
E	HOH1180
E	HOH1192
I	LYS46
I	LYS46
E	TYR59

---

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 E 1009

Chain	Residue
E	LYS169
E	PRO173
E	GLY174
E	HOH1057

---

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 E 1010

Chain	Residue
E	LYS107
E	SER164
E	ASP165
E	SER166
E	HOH1094

---

site_id	AC6
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SO4 E 1011

Chain	Residue
E	SER93
E	ASN95
E	THR98
E	ASN100
E	ASN101
E	SER178
E	ASN179
E	HOH1095
E	HOH1151

---

site_id	AC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO E 1

Chain	Residue
E	ALA129
E	PHE181
E	GLN210
E	LYS230
E	HOH1037

---

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO E 2

Chain	Residue
E	ASN34
E	TYR39
E	HIS40
E	ILE73
E	HOH1022
E	HOH1139

---

site_id	AC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO E 3

Chain	Residue
E	TYR20
E	CYS22
E	THR26

---

site_id	BC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO E 4

Chain	Residue
E	ASP153
E	VAL154
E	LYS156

---

site_id	BC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO E 5

Chain	Residue
E	SER49
E	ALA112
E	SER113
E	LEU114
E	HOH1146

---

site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO E 6

Chain	Residue
E	ILE47
E	ASN48
E	ILE242
E	HOH1145

---

site_id	BC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA I 1003

Chain	Residue
I	GLN31
I	GLN31
I	THR32
I	THR32
I	HOH922
I	HOH922

---

site_id	BC5
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SO4 I 1004

Chain	Residue
I	ARG20
I	TYR35
I	GLY37
I	ALA40
I	HOH216
I	HOH445
I	HOH521
I	HOH538
I	HOH554

---

site_id	BC6
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 I 1005

Chain	Residue
I	GLU7
I	ARG42
I	HOH135
I	HOH412
I	HOH430
I	HOH573
I	HOH897
I	HOH898

---

site_id	BC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 I 1006

Chain	Residue
E	LYS87
E	LYS107
E	HOH1126
I	ARG42
I	HOH317
I	HOH594
I	HOH947

---

site_id	BC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 I 1007

Chain	Residue
I	PRO9
I	TYR10
I	THR11
I	GLY12
I	HOH326
I	HOH679
I	HOH923

---

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	3
Details	Active site: {"description":"Charge relay system"}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	7
Details	Binding site: {}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
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_FI4
Number of Residues	1
Details	Site: {"description":"Reactive bond for trypsin"}

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

---