3BG4

The crystal structure of guamerin in complex with chymotrypsin and the development of an elastase-specific inhibitor

Functional Information from GO Data

Chain	GOid	namespace	contents
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	0004857	molecular_function	enzyme inhibitor activity
D	0004867	molecular_function	serine-type endopeptidase inhibitor activity
D	0005576	cellular_component	extracellular region
D	0030414	molecular_function	peptidase inhibitor activity
D	0050819	biological_process	negative regulation of coagulation

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
B	VAL53-CYS58

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

Chain	Residue	Details
C	SER189-VAL200

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	3
Details	Active site: {"description":"Charge relay system"}

Chain

Residue

Details

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site_id	SWS_FT_FI2
Number of Residues	26
Details	Domain: {"description":"Antistasin-like","evidences":[{"source":"PROSITE-ProRule","id":"PRU00582","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI3
Number of Residues	1
Details	Site: {"description":"Reactive bond"}

Chain

Residue

Details

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Catalytic Information from CSA

site_id	CSA1
Number of Residues	2
Details	Annotated By Reference To The Literature 1hja

Chain	Residue	Details
B	ASP102
B	HIS57

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site_id	CSA2
Number of Residues	2
Details	Annotated By Reference To The Literature 1hja

Chain	Residue	Details
C	SER195
C	GLY193

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site_id	CSA3
Number of Residues	2
Details	Annotated By Reference To The Literature 1hja

Chain	Residue	Details
C	SER195
C	GLY196

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site_id	MCSA1
Number of Residues	3
Details	M-CSA 387

Chain	Residue	Details
C	GLY193	electrostatic stabiliser
C	SER195	covalent catalysis
C	GLY196	electrostatic stabiliser

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