4B2B

Structure of the factor Xa-like trypsin variant triple-Ala (TGPA) in complex with eglin C

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004175	molecular_function	endopeptidase activity
A	0004252	molecular_function	serine-type endopeptidase activity
A	0005515	molecular_function	protein binding
A	0005576	cellular_component	extracellular region
A	0005615	cellular_component	extracellular space
A	0006508	biological_process	proteolysis
A	0007586	biological_process	digestion
A	0008233	molecular_function	peptidase activity
A	0008236	molecular_function	serine-type peptidase activity
A	0016787	molecular_function	hydrolase activity
A	0046872	molecular_function	metal ion binding
A	0097180	cellular_component	serine protease inhibitor complex
A	0097655	molecular_function	serpin family protein binding
B	0004867	molecular_function	serine-type endopeptidase inhibitor activity
B	0009611	biological_process	response to wounding
B	0030414	molecular_function	peptidase inhibitor activity
C	0004175	molecular_function	endopeptidase activity
C	0004252	molecular_function	serine-type endopeptidase activity
C	0005515	molecular_function	protein binding
C	0005576	cellular_component	extracellular region
C	0005615	cellular_component	extracellular space
C	0006508	biological_process	proteolysis
C	0007586	biological_process	digestion
C	0008233	molecular_function	peptidase activity
C	0008236	molecular_function	serine-type peptidase activity
C	0016787	molecular_function	hydrolase activity
C	0046872	molecular_function	metal ion binding
C	0097180	cellular_component	serine protease inhibitor complex
C	0097655	molecular_function	serpin family protein binding
D	0004867	molecular_function	serine-type endopeptidase inhibitor activity
D	0009611	biological_process	response to wounding
D	0030414	molecular_function	peptidase inhibitor activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA A 1246

Chain	Residue
A	GLU70
A	ASN72
A	VAL75
A	GLU80
A	HOH2067
A	HOH2068

---

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA C 1246

Chain	Residue
C	GLU80
C	HOH2082
C	HOH2083
C	GLU70
C	ASN72
C	VAL75

---

site_id	AC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL B 1071

Chain	Residue
A	HOH2031
B	ASN50

---

site_id	AC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL C 1247

Chain	Residue
C	VAL75
C	VAL76
C	HOH2090

---

site_id	AC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL B 1072

Chain	Residue
B	TYR35
B	LEU37
B	ARG51
B	ARG53
B	HOH2047
B	HOH2051
B	HOH2065
B	HOH2066

---

site_id	AC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL D 1071

Chain	Residue
D	TYR35
D	LEU37
D	ARG51
D	ARG53
D	HOH2038
D	HOH2041
D	HOH2054

---

site_id	AC7
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL B 1073

Chain	Residue
A	EDO1249
A	HOH2184
B	GLU39
B	GLY40
B	PHE55
B	HIS65
B	HOH2062
B	HOH2068
B	HOH2069

---

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL C 1248

Chain	Residue
C	ASN101
C	ASN179
C	ASN233
C	TYR234
C	HOH2111
C	HOH2123

---

site_id	AC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL C 1249

Chain	Residue
C	SER93
C	ASN95
C	THR98
C	ASN100
C	ASN101

---

site_id	BC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL C 1250

Chain	Residue
C	TYR20
C	CYS22
C	THR26
C	LYS159
C	HOH2113
C	HOH2228
C	HOH2229

---

site_id	BC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL A 1247

Chain	Residue
A	ASN34
A	GLY38
A	TYR39
A	HIS40
A	ARG66
A	ILE73
A	ASN74
A	HOH2075

---

site_id	BC3
Number of Residues	1
Details	BINDING SITE FOR RESIDUE GOL D 1072

Chain	Residue
D	GLY0

---

site_id	BC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL D 1073

Chain	Residue
C	HOH2217
D	GLU39
D	GLY40
D	PHE55
D	HIS65
D	HOH2055
D	HOH2056
D	HOH2057

---

site_id	BC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO C 1251

Chain	Residue
C	SER61
C	GLY62
C	SER86
C	HOH2063
C	HOH2065

---

site_id	BC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE EDO D 1074

Chain	Residue
D	TYR49
D	HOH2058

---

site_id	BC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 1248

Chain	Residue
A	SER61
A	GLY62
A	SER86
A	HOH2055
A	HOH2056

---

site_id	BC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 1249

Chain	Residue
A	GLU217
A	GLY219
A	GLN221
A	HOH2184
B	GOL1073

---

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
A	VAL53-CYS58

---

site_id	PS00285
Number of Residues	12
Details	POTATO_INHIBITOR Potato inhibitor I family signature. FPEVVGktVdqA

Chain	Residue	Details
B	PHE10-ALA21

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	440
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	6
Details	Active site: {"description":"Charge relay system"}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	14
Details	Binding site: {}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	Site: {"description":"Reactive bond"}

Chain

Residue

Details

---