Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4B2C

Structure of the factor Xa-like trypsin variant triple-Ala (TPA) 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
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

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	HOH2069
A	HOH2070

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

Chain	Residue
C	GLU80
C	HOH2066
C	HOH2067
C	GLU70
C	ASN72
C	VAL75

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

Chain	Residue
A	HOH2035
B	ASN50

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

Chain	Residue
C	VAL75
C	VAL76
C	HOH2074

site_id	AC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL B 1072

Chain	Residue
B	TYR35
B	LEU37
B	ARG51
B	ARG53
B	HOH2054
B	HOH2057
B	HOH2073

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL A 1247

Chain	Residue
A	GLN135
A	CYS136
A	VAL200
A	SER202
A	GLY203

site_id	AC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL D 1071

Chain	Residue
C	EDO1256
D	TYR35
D	ARG51
D	ARG53
D	HOH2042
D	HOH2046
D	HOH2056

site_id	AC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A 1248

Chain	Residue
A	THR144
A	SER150
A	PRO152
A	GOL1249
A	HOH2180
B	GLU2
B	GLY4

site_id	AC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL A 1249

Chain	Residue
A	ILE16
A	GLY18
A	GLY19
A	LYS156
A	GOL1248
A	HOH2002

site_id	BC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL D 1072

Chain	Residue
C	HOH2170
C	HOH2171
D	GLU39
D	GLY40
D	HIS65
D	HOH2057
D	HOH2058

site_id	BC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL B 1073

Chain	Residue
A	HOH2171
A	HOH2173
B	GLU39
B	GLY40
B	PHE55
B	HIS65
B	HOH2075
B	HOH2077

site_id	BC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL C 1248

Chain	Residue
C	GLN135
C	VAL200
C	CYS201
C	SER202
C	GLY203

site_id	BC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL A 1250

Chain	Residue
A	TYR59
A	SER61
A	GLY62
A	ALA85
A	HOH2058
A	HOH2091

site_id	BC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL B 1074

Chain	Residue
B	GLU12
B	TYR24
B	HIS28
B	TYR29

site_id	BC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL D 1073

Chain	Residue
C	ASP153
C	GOL1251
D	THR1
D	PHE3
D	GLY4
D	SER5

site_id	BC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL C 1249

Chain	Residue
C	TYR20
C	CYS22
C	THR26

site_id	BC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL B 1075

Chain	Residue
A	ASP153
B	THR1
B	PHE3
B	GLY4
B	SER5

site_id	BC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL C 1250

Chain	Residue
C	HIS91
C	ASN101
C	ASN179
C	ASN233
C	TYR234
C	HOH2152

site_id	CC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL B 1076

Chain	Residue
B	GLU6
B	LEU7
B	LYS8
B	HOH2010
B	HOH2078

site_id	CC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL C 1251

Chain	Residue
C	ASN74
D	SER5
D	GOL1073

site_id	CC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL A 1251

Chain	Residue
A	ASN34
A	GLY38
A	TYR39
A	HIS40
A	ARG66
A	ILE73
A	ASN74
A	HOH2076

site_id	CC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL C 1252

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

site_id	CC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL B 1077

Chain	Residue
A	THR149
A	TYR151
A	HOH2166
B	VAL69
B	GLY70
B	HOH2059
B	HOH2060

site_id	CC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL C 1253

Chain	Residue
C	ILE16
C	GLY18
C	GLY19
C	LYS156
C	HOH2002
D	GLU2

site_id	CC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO C 1254

Chain	Residue
C	ALA129
C	PHE181
C	HOH2128

site_id	CC8
Number of Residues	1
Details	BINDING SITE FOR RESIDUE EDO B 1078

Chain	Residue
B	HOH2079

site_id	CC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO C 1255

Chain	Residue
C	GLN50
C	TRP51
C	ILE242
C	ASN245

site_id	DC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO C 1256

Chain	Residue
C	SER96
C	LYS159
C	HOH2146
D	GOL1071

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
B	PHE10-ALA21

site_id	PS00134
Number of Residues	6
Details	TRYPSIN_HIS Serine proteases, trypsin family, histidine active site. VSAAHC

Chain	Residue	Details
A	VAL53-CYS58

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

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)