4B1T

Structure of the factor Xa-like trypsin variant triple-Ala (TA) 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	0008236	molecular_function	serine-type peptidase 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	0010466	biological_process	negative regulation of peptidase 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	0008236	molecular_function	serine-type peptidase 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	0010466	biological_process	negative regulation of peptidase 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	HOH2039
A	HOH2040

---

site_id	AC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL A 1247

Chain	Residue
A	HIS40
A	ARG66
A	ILE73
A	ASN74
A	HOH2020
A	HOH2045
A	ASN34
A	GLY38
A	TYR39

---

site_id	AC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO A 1248

Chain	Residue
A	ASN72
A	VAL75
A	ASP153

---

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A 1249

Chain	Residue
A	TYR20
A	CYS22
A	THR26
A	LYS159

---

site_id	AC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL B 1071

Chain	Residue
B	TYR35
B	LEU37
B	ARG51
B	ARG53
B	HOH2020
B	HOH2022
B	HOH2033

---

site_id	AC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL B 1072

Chain	Residue
A	HOH2094
A	HOH2095
B	GLU39
B	GLY40
B	PHE55
B	HIS65
B	HOH2034

---

site_id	AC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL B 1073

Chain	Residue
B	LEU7
B	TYR49
B	HOH2005

---

site_id	AC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO B 1074

Chain	Residue
B	PHE3
B	THR26
B	PRO30

---

site_id	AC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA C 1246

Chain	Residue
C	GLU70
C	ASN72
C	VAL75
C	GLU80
C	HOH2039
C	HOH2040

---

site_id	BC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL C 1247

Chain	Residue
C	ILE16
C	GLY18
C	GLY19
C	THR144
C	LYS156
C	HOH2002

---

site_id	BC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO C 1248

Chain	Residue
C	ASN34
C	GLY38
C	TYR39
C	HIS40
C	ILE73

---

site_id	BC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL D 1071

Chain	Residue
C	GLN192
D	VAL52
D	ARG53
D	HIS68
D	GLY70
D	HOH2013
D	HOH2020
D	HOH2021

---

site_id	BC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL D 1072

Chain	Residue
C	HOH2095
D	GLU39
D	GLY40
D	HIS65
D	HOH2018

---

site_id	BC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL D 1073

Chain	Residue
D	ARG51
D	ARG53
D	HOH2022

---

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	2
Details	SITE: Reactive bond

Chain	Residue	Details
B	LYS45
D	LYS45
A	ALA195
C	HIS57
C	ASP102
C	ALA195

---

site_id	SWS_FT_FI2
Number of Residues	14
Details	BINDING:

Chain	Residue	Details
A	GLU70
C	VAL75
C	GLU80
C	ASP189
C	GLN192
C	ALA195
A	ASN72
A	VAL75
A	GLU80
A	ASP189
A	GLN192
A	ALA195
C	GLU70
C	ASN72

---