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3CHD

Crystal structure of Aspergillus fumigatus chitinase B1 in complex with dipeptide

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 Residues13
DetailsBINDING SITE FOR RESIDUE WRG A 800
ChainResidue
ATYR48
AGLU322
ATRP384
AHOH519
AHOH659
ATRP137
AASP175
AGLU177
AMET243
ATYR245
AASP246
APHE251
AARG301

site_idAC2
Number of Residues12
DetailsBINDING SITE FOR RESIDUE WRG B 900
ChainResidue
BTYR48
BTRP137
BASP175
BGLU177
BMET243
BTYR245
BASP246
BPHE251
BARG301
BTRP384
BHOH583
BHOH592

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 434
ChainResidue
AARG126
AHOH516
AHOH824
BSER103

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A 435
ChainResidue
ATHR149
AASP150
AHOH727

site_idAC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A 436
ChainResidue
AASN181
AASP182
AHOH721

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 437
ChainResidue
AHIS229
ALEU230
ALYS231
AASP232
AHOH857
AHOH869

site_idAC7
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A 438
ChainResidue
ASER103
ATRP104
ASER105

site_idAC8
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 A 439
ChainResidue
AGLY221
APRO222
AASP223
ALYS224
APHE273
AHOH674
AHOH718
AHOH745

site_idAC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 B 434
ChainResidue
BTHR149
BASP150
BHOH691
BHOH798

site_idBC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 B 435
ChainResidue
BHIS339
BVAL340
BHOH675
BHOH825

site_idBC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 B 436
ChainResidue
BGLY392
BSER393
BHOH747

site_idBC3
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 B 437
ChainResidue
BASN181
BASP182

site_idBC4
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 B 438
ChainResidue
BARG428
BASN429

site_idBC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 439
ChainResidue
BHIS229
BLEU230
BLYS231
BASP232
BHOH709

site_idBC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 B 440
ChainResidue
AHOH844
BARG283
BALA289
BHOH511
BHOH573
BHOH587
BHOH781

site_idBC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 B 441
ChainResidue
BLYS390
BTHR391
BHOH674
BHOH790

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 Residues728
DetailsDomain: {"description":"GH18","evidences":[{"source":"PROSITE-ProRule","id":"PRU01258","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues2
DetailsActive site: {"description":"Proton donor","evidences":[{"source":"PROSITE-ProRule","id":"PRU01258","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues8
DetailsBinding site: {"evidences":[{"source":"PubMed","id":"16183021","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2A3B","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails

site_idSWS_FT_FI4
Number of Residues18
DetailsBinding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU01258","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI5
Number of Residues2
DetailsGlycosylation: {"description":"N-linked (GlcNAc...) asparagine","evidences":[{"evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

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 2025-07-30

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