Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

2R9P

Human mesotrypsin complexed with bovine pancreatic trypsin inhibitor(BPTI)

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004252	molecular_function	serine-type endopeptidase activity
A	0006508	biological_process	proteolysis
B	0004252	molecular_function	serine-type endopeptidase activity
B	0006508	biological_process	proteolysis
C	0004252	molecular_function	serine-type endopeptidase activity
C	0006508	biological_process	proteolysis
D	0004252	molecular_function	serine-type endopeptidase activity
D	0006508	biological_process	proteolysis
E	0004867	molecular_function	serine-type endopeptidase inhibitor activity
F	0004867	molecular_function	serine-type endopeptidase inhibitor activity
G	0004867	molecular_function	serine-type endopeptidase inhibitor activity
I	0004867	molecular_function	serine-type endopeptidase inhibitor activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 7

Chain	Residue
A	ALA132
A	THR164
A	GLN165
A	HOH333
A	HOH351

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 B 6

Chain	Residue
B	THR164
B	GLN165
B	HOH264
B	HOH349

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 B 13

Chain	Residue
B	LYS169
B	GLY174
B	HOH343
D	LYS169

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 B 14

Chain	Residue
B	HIS217
B	TRP221
B	ARG224
B	HOH335

site_id	AC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 B 247

Chain	Residue
B	SER39
B	HIS40
B	LYS74
B	ARG193
B	HOH281
B	HOH336
F	ARG17
F	HOH89

site_id	AC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 C 1

Chain	Residue
C	HOH314
C	HOH328

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 C 247

Chain	Residue
C	ILE73
C	ARG193
C	HOH270
C	HOH299
C	HOH311
G	ARG17

site_id	AC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 D 8

Chain	Residue
D	ASN84
D	SER109
D	HOH288

site_id	AC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 D 15

Chain	Residue
D	ALA132
D	GLN165
D	HOH306

site_id	BC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 D 247

Chain	Residue
D	PRO152
D	ASP153
D	GLU154

site_id	BC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 D 248

Chain	Residue
D	SER39
D	ARG193
D	HOH259
D	HOH321
I	ARG17

site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 I 59

Chain	Residue
F	ARG42
I	ARG20
I	TYR35
I	HOH69

site_id	BC4
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SO4 E 59

Chain	Residue
E	PHE4
E	GLU7
E	LYS41
E	ARG42
E	HOH63
E	HOH82
E	HOH83
E	HOH91
E	HOH93

site_id	BC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 E 60

Chain	Residue
E	ARG20
E	LYS46
E	HOH72
G	ARG42
G	HOH74

site_id	BC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 F 59

Chain	Residue
D	ARG96
F	LYS41
F	ARG42
F	HOH76
F	HOH78

site_id	BC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 F 60

Chain	Residue
F	ARG20
F	TYR35
F	GLY37
F	ALA40
F	HOH88

site_id	BC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 F 61

Chain	Residue
F	LYS46
F	HOH75
I	ASP3
I	ARG42
I	HOH87

site_id	BC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 G 59

Chain	Residue
G	GLU7
G	LYS41
G	ARG42
G	HOH66
G	HOH87

site_id	CC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 G 60

Chain	Residue
G	ARG20
G	TYR35
G	GLY37
G	HOH90

site_id	CC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 G 61

Chain	Residue
E	PHE4
E	ARG42
E	HOH83
G	LYS46

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	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	880
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	12
Details	Active site: {"description":"Charge relay system","evidences":[{"source":"PROSITE-ProRule","id":"PRU00274","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"27810896","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	12
Details	Binding site: {"evidences":[{"source":"PubMed","id":"11827488","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25301953","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27810896","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1H4W","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3L33","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3L3T","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3P92","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3P95","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4U30","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4U32","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5JBT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5TP0","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"PubMed","id":"11827488","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25301953","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27810896","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1H4W","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3L33","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3L3T","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3P92","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3P95","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4U30","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4U32","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5JBT","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI5
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"PubMed","id":"11827488","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25301953","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27810896","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1H4W","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3L33","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3L3T","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3P92","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3P95","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4U32","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5JBT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5TP0","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI6
Number of Residues	4
Details	Site: {"description":"Required for specificity","evidences":[{"evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

site_id	SWS_FT_FI7
Number of Residues	4
Details	Modified residue: {"description":"Sulfotyrosine","evidences":[{"evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

site_id	SWS_FT_FI8
Number of Residues	200
Details	Domain: {"description":"BPTI/Kunitz inhibitor","evidences":[{"source":"PROSITE-ProRule","id":"PRU00031","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

site_id	SWS_FT_FI9
Number of Residues	4
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
A	ASP102
A	ALA195
A	HIS57

site_id	CSA10
Number of Residues	2
Details	Annotated By Reference To The Literature 1a0j

Chain	Residue	Details
B	ALA195
B	GLY196

site_id	CSA11
Number of Residues	2
Details	Annotated By Reference To The Literature 1a0j

Chain	Residue	Details
C	ALA195
C	GLY196

site_id	CSA12
Number of Residues	2
Details	Annotated By Reference To The Literature 1a0j

Chain	Residue	Details
D	ALA195
D	GLY196

site_id	CSA2
Number of Residues	3
Details	Annotated By Reference To The Literature 1a0j

Chain	Residue	Details
B	ASP102
B	ALA195
B	HIS57

site_id	CSA3
Number of Residues	3
Details	Annotated By Reference To The Literature 1a0j

Chain	Residue	Details
C	ASP102
C	ALA195
C	HIS57

site_id	CSA4
Number of Residues	3
Details	Annotated By Reference To The Literature 1a0j

Chain	Residue	Details
D	ASP102
D	ALA195
D	HIS57

site_id	CSA5
Number of Residues	2
Details	Annotated By Reference To The Literature 1a0j

Chain	Residue	Details
A	ASP102
A	HIS57

site_id	CSA6
Number of Residues	2
Details	Annotated By Reference To The Literature 1a0j

Chain	Residue	Details
B	ASP102
B	HIS57

site_id	CSA7
Number of Residues	2
Details	Annotated By Reference To The Literature 1a0j

Chain	Residue	Details
C	ASP102
C	HIS57

site_id	CSA8
Number of Residues	2
Details	Annotated By Reference To The Literature 1a0j

Chain	Residue	Details
D	ASP102
D	HIS57

site_id	CSA9
Number of Residues	2
Details	Annotated By Reference To The Literature 1a0j

Chain	Residue	Details
A	ALA195
A	GLY196

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