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1WAW

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

Functional Information from GO Data
ChainGOidnamespacecontents
A0000272biological_processpolysaccharide catabolic process
A0004553molecular_functionhydrolase activity, hydrolyzing O-glycosyl compounds
A0004568molecular_functionchitinase activity
A0005576cellular_componentextracellular region
A0005615cellular_componentextracellular space
A0005764cellular_componentlysosome
A0005975biological_processcarbohydrate metabolic process
A0006032biological_processchitin catabolic process
A0006955biological_processimmune response
A0008061molecular_functionchitin binding
A0008843molecular_functionendochitinase activity
A0009617biological_processresponse to bacterium
A0016798molecular_functionhydrolase activity, acting on glycosyl bonds
A0035580cellular_componentspecific granule lumen
A0044245biological_processpolysaccharide digestion
A1904724cellular_componenttertiary granule lumen
Functional Information from PDB Data
site_idAC1
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL A 1389
ChainResidue
ATYR141
APRO185
AALA186
AGLY187
AMET210
ATYR212
AASP213
AHOH2339
AHOH2340

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL A 1390
ChainResidue
AASP47
ALEU50
ALYS152
AGLN381
AHOH2189
AHOH2341

site_idAC3
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL A 1391
ChainResidue
ASER217
ATRP218
AARG269
AGLY298
AGLY299
AHOH2273
AHOH2342
BDPR1393

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE IPA A 1397
ChainResidue
AARG177
AGLN202
AASN203
AASP205
AHOH2202
AHOH2347

site_idAC5
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 A 1398
ChainResidue
AHOH2349
AHOH2350

site_idAC6
Number of Residues21
DetailsBINDING SITE FOR CHAIN B OF ARGADIN
ChainResidue
ATYR27
ATRP99
AASP138
AGLU140
AALA183
AMET210
ATYR212
AASP213
ATRP218
ATYR267
AARG269
AGLU297
AMET300
ATRP360
AGOL1391
AHOH2187
AHOH2205
BHOH2343
BHOH2344
BHOH2345
BHOH2346

Functional Information from PROSITE/UniProt
site_idPS01095
Number of Residues9
DetailsGH18_1 Glycosyl hydrolases family 18 (GH18) active site signature. FDGLDLDwE
ChainResidueDetails
APHE132-GLU140

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsACT_SITE: Proton donor => ECO:0000255|PROSITE-ProRule:PRU01258
ChainResidueDetails
AGLU140

site_idSWS_FT_FI2
Number of Residues5
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU01258
ChainResidueDetails
ATYR141
AMET210
ATRP360
AGLU70
AGLY97

site_idSWS_FT_FI3
Number of Residues1
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine; in variant S-102 => ECO:0000269|PubMed:19725875
ChainResidueDetails
AASN100

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PDB entries from 2024-06-12

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