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2IUZ

Crystal structure of Aspergillus fumigatus chitinase B1 in complex with C2-dicaffeine

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 Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A1434
ChainResidue
AARG126
AGLN414
AHOH2442
BSER103

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A1435
ChainResidue
ATHR149
AASP150
AHOH2168
AHOH2457

site_idAC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A1436
ChainResidue
AASP182
AHOH2458
AASN181

site_idAC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A1437
ChainResidue
AHIS229
ALEU230
ALYS231
AASP232
AHOH2247
AHOH2459
AHOH2460

site_idAC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A1438
ChainResidue
AASN354
AHOH2461
AHOH2462

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A1439
ChainResidue
ALEU341
ATYR348
AHOH2369
AHOH2463
AHOH2464
BPRO81
BHOH2137

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 B1433
ChainResidue
BTHR149
BASP150
BHOH2403
BHOH2404

site_idAC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 B1434
ChainResidue
AASN323
BGLU338
BHIS339
BHOH2406
BHOH2407
BHOH2408

site_idAC9
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 B1435
ChainResidue
BASN181
BASP182

site_idBC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B1436
ChainResidue
BARG283
BALA289
BHOH2263
BHOH2409
BHOH2410

site_idBC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 B1437
ChainResidue
BHIS229
BLEU230
BLYS231
BASP232
BHOH2411
BHOH2412

site_idBC3
Number of Residues12
DetailsBINDING SITE FOR RESIDUE D1H A1440
ChainResidue
ATRP52
APHE76
AGLY136
ATRP137
ATHR138
ATYR139
AASP246
ATYR299
ATRP384
AHOH2262
AHOH2465
AHOH2466

site_idBC4
Number of Residues16
DetailsBINDING SITE FOR RESIDUE D1H B1438
ChainResidue
AGLN364
BTRP52
BPHE76
BGLY136
BTRP137
BTHR138
BTYR245
BASP246
BTYR299
BTRP384
BHOH2005
BHOH2126
BHOH2221
BHOH2291
BHOH2413
BHOH2415

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 2024-11-13

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