2Y6T

Molecular Recognition of Chymotrypsin by the Serine Protease Inhibitor Ecotin from Yersinia pestis

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004252	molecular_function	serine-type endopeptidase activity
A	0005515	molecular_function	protein binding
A	0005576	cellular_component	extracellular region
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	0097180	cellular_component	serine protease inhibitor complex
A	0097655	molecular_function	serpin family protein binding
B	0004252	molecular_function	serine-type endopeptidase activity
B	0005515	molecular_function	protein binding
B	0005576	cellular_component	extracellular region
B	0006508	biological_process	proteolysis
B	0007586	biological_process	digestion
B	0008233	molecular_function	peptidase activity
B	0008236	molecular_function	serine-type peptidase activity
B	0016787	molecular_function	hydrolase activity
B	0097180	cellular_component	serine protease inhibitor complex
B	0097655	molecular_function	serpin family protein binding
C	0004252	molecular_function	serine-type endopeptidase activity
C	0005515	molecular_function	protein binding
C	0005576	cellular_component	extracellular region
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	0097180	cellular_component	serine protease inhibitor complex
C	0097655	molecular_function	serpin family protein binding
D	0004252	molecular_function	serine-type endopeptidase activity
D	0005515	molecular_function	protein binding
D	0005576	cellular_component	extracellular region
D	0006508	biological_process	proteolysis
D	0007586	biological_process	digestion
D	0008233	molecular_function	peptidase activity
D	0008236	molecular_function	serine-type peptidase activity
D	0016787	molecular_function	hydrolase activity
D	0097180	cellular_component	serine protease inhibitor complex
D	0097655	molecular_function	serpin family protein binding
E	0004867	molecular_function	serine-type endopeptidase inhibitor activity
E	0030414	molecular_function	peptidase inhibitor activity
E	0042597	cellular_component	periplasmic space
F	0004867	molecular_function	serine-type endopeptidase inhibitor activity
F	0030414	molecular_function	peptidase inhibitor activity
F	0042597	cellular_component	periplasmic space
G	0004867	molecular_function	serine-type endopeptidase inhibitor activity
G	0030414	molecular_function	peptidase inhibitor activity
G	0042597	cellular_component	periplasmic space
H	0004867	molecular_function	serine-type endopeptidase inhibitor activity
H	0030414	molecular_function	peptidase inhibitor activity
H	0042597	cellular_component	periplasmic space

Functional Information from PDB Data

site_id	AC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A 1246

Chain	Residue
A	LYS93
A	ASN95
F	ARG135

---

site_id	AC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 B 1246

Chain	Residue
B	LYS93
B	ASN95
E	ARG135

---

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 C 1246

Chain	Residue
C	ASN100
H	ARG135
C	LYS93
C	ASN95
C	THR98

---

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 D 1246

Chain	Residue
D	LYS93
D	ASN95
D	ASN100
D	HOH2004
G	ARG135

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	VAL53-CYS58

---

site_id	PS00135
Number of Residues	12
Details	TRYPSIN_SER Serine proteases, trypsin family, serine active site. SScmGDSGGPLV

Chain	Residue	Details
A	SER189-VAL200

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	12
Details	Active site: {"description":"Charge relay system"}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	Site: {"description":"Reactive bond","evidences":[{"source":"HAMAP-Rule","id":"MF_00706","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	5
Details	M-CSA 387

Chain	Residue	Details
A	HIS57	electrostatic stabiliser, proton shuttle (general acid/base)
A	ASP102	modifies pKa
A	GLY193	electrostatic stabiliser
A	SER195	covalent catalysis
A	GLY196	electrostatic stabiliser

---

site_id	MCSA2
Number of Residues	5
Details	M-CSA 387

Chain	Residue	Details
B	HIS57	electrostatic stabiliser, proton shuttle (general acid/base)
B	ASP102	modifies pKa
B	GLY193	electrostatic stabiliser
B	SER195	covalent catalysis
B	GLY196	electrostatic stabiliser

---

site_id	MCSA3
Number of Residues	5
Details	M-CSA 387

Chain	Residue	Details
C	HIS57	electrostatic stabiliser, proton shuttle (general acid/base)
C	ASP102	modifies pKa
C	GLY193	electrostatic stabiliser
C	SER195	covalent catalysis
C	GLY196	electrostatic stabiliser

---

site_id	MCSA4
Number of Residues	5
Details	M-CSA 387

Chain	Residue	Details
D	HIS57	electrostatic stabiliser, proton shuttle (general acid/base)
D	ASP102	modifies pKa
D	GLY193	electrostatic stabiliser
D	SER195	covalent catalysis
D	GLY196	electrostatic stabiliser

---