6D3Y

Highly Potent and Selective Plasmin Inhibitors Based on the Sunflower Trypsin Inhibitor-1 Scaffold Attenuate Fibrinolysis in Plasma

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004252	molecular_function	serine-type endopeptidase activity
A	0006508	biological_process	proteolysis

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	binding site for residue SO4 A 801

Chain	Residue
A	ARG610
A	SER612
A	HIS729
A	LEU730
A	ALA731
A	HOH1018

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site_id	AC2
Number of Residues	8
Details	binding site for residue GOL C 101

Chain	Residue
A	HOH924
C	ARG2
C	THR4
C	PHE12
C	HOH206
A	ARG644
A	ASP646
A	TRP761

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site_id	AC3
Number of Residues	7
Details	binding site for residue GOL C 102

Chain	Residue
C	ARG2
C	PHE12
C	ASP14
C	HOH201
C	HOH202
C	HOH203
C	HOH209

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Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	LEU599-CYS604

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

Chain	Residue	Details
A	ASP735-VAL746

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	SITE: Reactive bond => ECO:0000250|UniProtKB:P81705

Chain	Residue	Details
C	LYS5
A	ASP646
A	SER741

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site_id	SWS_FT_FI2
Number of Residues	2
Details	CROSSLNK: Cyclopeptide (Gly-Asp)

Chain	Residue	Details
C	GLY1
C	ASP14

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site_id	SWS_FT_FI3
Number of Residues	1
Details	MOD_RES: Phosphoserine => ECO:0000269|PubMed:9201958

Chain	Residue	Details
A	SER578

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site_id	SWS_FT_FI4
Number of Residues	1
Details	MOD_RES: Phosphoserine => ECO:0007744|PubMed:24275569

Chain	Residue	Details
A	SER669

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Catalytic Information from CSA

site_id	MCSA1
Number of Residues	4
Details	M-CSA 425

Chain	Residue	Details
A	HIS603	proton shuttle (general acid/base)
A	ASP646	electrostatic stabiliser, modifies pKa
A	SER741	covalent catalysis, proton shuttle (general acid/base)
A	GLY742	electrostatic stabiliser

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