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1WB0

specificity and affinity of natural product cyclopentapeptide inhibitor Argifin 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 Residues6
DetailsBINDING SITE FOR RESIDUE IPA A 1393
ChainResidue
ATYR303
ALYS316
AASP338
AVAL339
AGLU340
AGLN374

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 1394
ChainResidue
AHOH2055
AHOH2129
AHOH2226
AGLY102
ATHR103
AGLN104

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 1395
ChainResidue
AMET61
ATHR62
AASN63
ALYS105
AHOH2227

site_idAC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 469
ChainResidue
AARG116
ATHR157
AASP161
ATHR189
AHOH2223
AHOH2224
AHOH2225

site_idAC5
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 A 1396
ChainResidue
ALYS84
AHOH2084

site_idAC6
Number of Residues3
DetailsBINDING SITE FOR RESIDUE GOL A 1397
ChainResidue
AALA22
ALYS23
AASN331

site_idAC7
Number of Residues16
DetailsBINDING SITE FOR CHAIN B OF ARGIFIN
ChainResidue
ATYR27
ATRP99
AASN100
AASP138
AGLU140
ATYR141
AMET210
ATYR212
AASP213
ATRP218
AARG269
AGLU297
ATRP360
AHOH2140
BHOH2221
BHOH2222

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
AGLU70
AGLY97
ATYR141
AMET210
ATRP360

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

Catalytic Information from CSA
site_idCSA1
Number of Residues3
DetailsAnnotated By Reference To The Literature 1ctn
ChainResidueDetails
ATYR212
AASP138
AGLU140

site_idCSA2
Number of Residues2
DetailsAnnotated By Reference To The Literature 1ctn
ChainResidueDetails
AASP138
AGLU140

site_idCSA3
Number of Residues2
DetailsAnnotated By Reference To The Literature 1ctn
ChainResidueDetails
AASP136
AGLU140

221371

PDB entries from 2024-06-19

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