1T32

A Dual Inhibitor of the Leukocyte Proteases Cathepsin G and Chymase with Therapeutic Efficacy in Animals Models of Inflammation

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0002003	biological_process	angiotensin maturation
A	0002548	biological_process	monocyte chemotaxis
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	0005634	cellular_component	nucleus
A	0005764	cellular_component	lysosome
A	0005829	cellular_component	cytosol
A	0005886	cellular_component	plasma membrane
A	0006508	biological_process	proteolysis
A	0006935	biological_process	chemotaxis
A	0006955	biological_process	immune response
A	0008201	molecular_function	heparin binding
A	0008233	molecular_function	peptidase activity
A	0008236	molecular_function	serine-type peptidase activity
A	0010494	cellular_component	cytoplasmic stress granule
A	0016020	cellular_component	membrane
A	0016485	biological_process	protein processing
A	0016787	molecular_function	hydrolase activity
A	0019221	biological_process	cytokine-mediated signaling pathway
A	0019731	biological_process	antibacterial humoral response
A	0022617	biological_process	extracellular matrix disassembly
A	0030141	cellular_component	secretory granule
A	0030168	biological_process	platelet activation
A	0031012	cellular_component	extracellular matrix
A	0035578	cellular_component	azurophil granule lumen
A	0035590	biological_process	purinergic nucleotide receptor signaling pathway
A	0042119	biological_process	neutrophil activation
A	0042742	biological_process	defense response to bacterium
A	0048018	molecular_function	receptor ligand activity
A	0050829	biological_process	defense response to Gram-negative bacterium
A	0050830	biological_process	defense response to Gram-positive bacterium
A	0050868	biological_process	negative regulation of T cell activation
A	0051604	biological_process	protein maturation
A	0070062	cellular_component	extracellular exosome
A	0071222	biological_process	cellular response to lipopolysaccharide
A	0089720	molecular_function	caspase binding
A	0098786	biological_process	biofilm matrix disassembly
A	1901731	biological_process	positive regulation of platelet aggregation

Functional Information from PDB Data

site_id	AC1
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SO4 A 902

Chain	Residue
A	ARG20
A	GLU21
A	ARG114
A	ASN119
A	ARG156
A	HOH1045
A	HOH1078
A	HOH1127
A	HOH1201

---

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 903

Chain	Residue
A	ARG170
A	ARG178
A	ARG179
A	LYS217
A	HOH1232

---

site_id	AC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 A 904

Chain	Residue
A	ARG75
A	ARG76

---

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 A 905

Chain	Residue
A	ARG86
A	ARG97
A	GLN107
A	PRO132
A	ARG147
A	HOH1200

---

site_id	AC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 A 906

Chain	Residue
A	ARG86
A	ARG131
A	SER145
A	MET146
A	ARG147
A	HOH1094
A	HOH1211

---

site_id	AC6
Number of Residues	23
Details	BINDING SITE FOR RESIDUE OHH A 901

Chain	Residue
A	HIS57
A	ILE99
A	ARG166
A	LEU169
A	PHE172
A	ASP176
A	PRO177
A	ARG178
A	ALA190
A	LYS192
A	GLY193
A	SER195
A	SER214
A	TYR215
A	GLY216
A	LYS217
A	SER218
A	GLU226
A	HOH1063
A	HOH1087
A	HOH1110
A	HOH1130
A	HOH1137

---

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	LEU53-CYS58

---

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

Chain	Residue	Details
A	ALA189-LEU200

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	222
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	18
Details	Region: {"description":"Important for antimicrobial activity","evidences":[{"source":"PubMed","id":"2116408","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	3
Details	Active site: {"description":"Charge relay system","evidences":[{"source":"PROSITE-ProRule","id":"PRU00274","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	Glycosylation: {"description":"N-linked (GlcNAc...) (paucimannose) asparagine; alternate","evidences":[{"source":"PubMed","id":"26274980","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	2
Details	Annotated By Reference To The Literature 1a0j

Chain	Residue	Details
A	ASP102
A	HIS57

---

site_id	CSA2
Number of Residues	2
Details	Annotated By Reference To The Literature 1a0j

Chain	Residue	Details
A	SER195
A	GLY196

---

site_id	CSA3
Number of Residues	2
Details	Annotated By Reference To The Literature 1a0j

Chain	Residue	Details
A	SER195
A	GLY193

---

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

Chain	Residue	Details
A	ASP102
A	SER195
A	HIS57

---

site_id	CSA5
Number of Residues	4
Details	Annotated By Reference To The Literature 1a0j

Chain	Residue	Details
A	ASP102
A	SER195
A	HIS57
A	GLY196

---

site_id	CSA6
Number of Residues	4
Details	Annotated By Reference To The Literature 1a0j

Chain	Residue	Details
A	ASP102
A	SER195
A	GLY193
A	HIS57

---