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1W9U

Specificity and affnity of natural product cyclopentapeptide inhibitor Argadin against Aspergillus fumigatus chitinase

Functional Information from GO Data
ChainGOidnamespacecontents
A0004553molecular_functionhydrolase activity, hydrolyzing O-glycosyl compounds
A0005975biological_processcarbohydrate metabolic process
A0008061molecular_functionchitin binding
B0004553molecular_functionhydrolase activity, hydrolyzing O-glycosyl compounds
B0005975biological_processcarbohydrate metabolic process
B0008061molecular_functionchitin binding
Functional Information from PDB Data
site_idAC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 1439
ChainResidue
AHIS229
ALEU230
ALYS231
AASP232
AHOH2403
AHOH2675

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 1440
ChainResidue
AHOH2677
AASN181
AASP182
AHOH2676

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 1441
ChainResidue
ATHR149
AASP150
AHOH2678
AHOH2679
AHOH2680

site_idAC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 1442
ChainResidue
AHOH2161
AHOH2681
AHOH2682
AHOH2683
BARG283
BALA289
BHOH2396

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 B 1438
ChainResidue
BSER148
BTHR149
BASP150
BHOH2595
BHOH2596
BHOH2597

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 B 1439
ChainResidue
BHIS229
BLEU230
BLYS231
BASP232
BHOH2598
BHOH2599

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 B 1440
ChainResidue
BASN181
BASP182
BHOH2600
BHOH2601

site_idAC8
Number of Residues18
DetailsBINDING SITE FOR CHAIN C OF ARGADIN
ChainResidue
ATYR48
ATRP137
AASP175
AGLU177
ATYR245
AASP246
APHE251
ATYR299
AARG301
AVAL325
ATRP384
CHOH2667
CHOH2669
CHOH2670
CHOH2671
CHOH2672
CHOH2673
CHOH2674

site_idAC9
Number of Residues18
DetailsBINDING SITE FOR CHAIN D OF ARGADIN
ChainResidue
BTYR48
BTRP137
BASP175
BGLU177
BTYR245
BASP246
BPHE251
BTYR299
BARG301
BGLU322
BVAL325
BTRP384
BHOH2341
DHOH2585
DHOH2586
DHOH2589
DHOH2591
DHOH2592

Functional Information from PROSITE/UniProt
site_idPS01095
Number of Residues9
DetailsGH18_1 Glycosyl hydrolases family 18 (GH18) active site signature. FDGLDIDwE
ChainResidueDetails
APHE169-GLU177

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: Proton donor => ECO:0000255|PROSITE-ProRule:PRU01258
ChainResidueDetails
AGLU177
BGLU177

site_idSWS_FT_FI2
Number of Residues8
DetailsBINDING: BINDING => ECO:0000269|PubMed:16183021, ECO:0007744|PDB:2A3B
ChainResidueDetails
ATRP52
ATRP137
ATYR245
APHE251
BTRP52
BTRP137
BTYR245
BPHE251

site_idSWS_FT_FI3
Number of Residues10
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU01258
ChainResidueDetails
AGLY108
BTRP384
AGLY135
ATYR178
AMET243
ATRP384
BGLY108
BGLY135
BTYR178
BMET243

site_idSWS_FT_FI4
Number of Residues2
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255
ChainResidueDetails
AASN263
BASN263

Catalytic Information from CSA
site_idCSA1
Number of Residues3
DetailsAnnotated By Reference To The Literature 1ctn
ChainResidueDetails
AASP175
ATYR245
AGLU177

site_idCSA2
Number of Residues3
DetailsAnnotated By Reference To The Literature 1ctn
ChainResidueDetails
BASP175
BTYR245
BGLU177

site_idCSA3
Number of Residues2
DetailsAnnotated By Reference To The Literature 1ctn
ChainResidueDetails
AASP175
AGLU177

site_idCSA4
Number of Residues2
DetailsAnnotated By Reference To The Literature 1ctn
ChainResidueDetails
BASP175
BGLU177

site_idCSA5
Number of Residues2
DetailsAnnotated By Reference To The Literature 1ctn
ChainResidueDetails
AGLU177
AASP173

site_idCSA6
Number of Residues2
DetailsAnnotated By Reference To The Literature 1ctn
ChainResidueDetails
BGLU177
BASP173

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PDB entries from 2024-11-20

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