1WAW

Specificity and affinity of natural product cyclopentapeptide inhibitor Argadin against human chitinase

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000272	biological_process	polysaccharide catabolic process
A	0004553	molecular_function	hydrolase activity, hydrolyzing O-glycosyl compounds
A	0004568	molecular_function	chitinase activity
A	0005515	molecular_function	protein binding
A	0005576	cellular_component	extracellular region
A	0005615	cellular_component	extracellular space
A	0005764	cellular_component	lysosome
A	0005975	biological_process	carbohydrate metabolic process
A	0006032	biological_process	chitin catabolic process
A	0006955	biological_process	immune response
A	0008061	molecular_function	chitin binding
A	0008843	molecular_function	endochitinase activity
A	0009617	biological_process	response to bacterium
A	0016787	molecular_function	hydrolase activity
A	0016798	molecular_function	hydrolase activity, acting on glycosyl bonds
A	0035580	cellular_component	specific granule lumen
A	0044245	biological_process	polysaccharide digestion
A	1904724	cellular_component	tertiary granule lumen

Functional Information from PDB Data

site_id	AC1
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL A 1389

Chain	Residue
A	TYR141
A	PRO185
A	ALA186
A	GLY187
A	MET210
A	TYR212
A	ASP213
A	HOH2339
A	HOH2340

---

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL A 1390

Chain	Residue
A	ASP47
A	LEU50
A	LYS152
A	GLN381
A	HOH2189
A	HOH2341

---

site_id	AC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL A 1391

Chain	Residue
A	SER217
A	TRP218
A	ARG269
A	GLY298
A	GLY299
A	HOH2273
A	HOH2342
B	DPR1393

---

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE IPA A 1397

Chain	Residue
A	ARG177
A	GLN202
A	ASN203
A	ASP205
A	HOH2202
A	HOH2347

---

site_id	AC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 A 1398

Chain	Residue
A	HOH2349
A	HOH2350

---

site_id	AC6
Number of Residues	21
Details	BINDING SITE FOR CHAIN B OF ARGADIN

Chain	Residue
A	TYR27
A	TRP99
A	ASP138
A	GLU140
A	ALA183
A	MET210
A	TYR212
A	ASP213
A	TRP218
A	TYR267
A	ARG269
A	GLU297
A	MET300
A	TRP360
A	GOL1391
A	HOH2187
A	HOH2205
B	HOH2343
B	HOH2344
B	HOH2345
B	HOH2346

---

Functional Information from PROSITE/UniProt

site_id	PS01095
Number of Residues	9
Details	GH18_1 Glycosyl hydrolases family 18 (GH18) active site signature. FDGLDLDwE

Chain	Residue	Details
A	PHE132-GLU140

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	Active site: {"description":"Proton donor","evidences":[{"source":"PROSITE-ProRule","id":"PRU01258","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	9
Details	Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU01258","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	Glycosylation: {"description":"N-linked (GlcNAc...) asparagine; in variant S-102","evidences":[{"source":"PubMed","id":"19725875","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	3
Details	Annotated By Reference To The Literature 1ctn

Chain	Residue	Details
A	TYR212
A	ASP138
A	GLU140

---

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

Chain	Residue	Details
A	ASP138
A	GLU140

---

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

Chain	Residue	Details
A	ASP136
A	GLU140

---