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2A3C

Crystal structure of Aspergillus fumigatus chitinase B1 in complex with pentoxifylline

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 Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A 1001
ChainResidue
AARG126
AGLN414
BSER103

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 1002
ChainResidue
ATHR149
AASP150
AHOH1688
AHOH1820

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 B 1003
ChainResidue
BHOH2598
BHOH2755
BTHR149
BASP150

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 1004
ChainResidue
AASN181
AASP182
AHOH1729
AHOH1763

site_idAC5
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 B 1005
ChainResidue
BASN181
BASP182

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 1006
ChainResidue
AHIS229
ALEU230
ALYS231
AASP232
AHOH1630

site_idAC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 B 1007
ChainResidue
BHIS229
BLEU230
BLYS231
BASP232
BHOH2574
BHOH2665

site_idAC8
Number of Residues13
DetailsBINDING SITE FOR RESIDUE PNX A 1434
ChainResidue
ATRP52
APHE76
AGLY136
ATRP137
ATHR138
AASP175
AGLU177
AMET243
ATYR245
AASP246
ATRP384
AHOH1818
AHOH1819

site_idAC9
Number of Residues14
DetailsBINDING SITE FOR RESIDUE PNX B 2433
ChainResidue
AGLN364
BTRP52
BPHE76
BGLY136
BTRP137
BTHR138
BASP175
BMET243
BTYR245
BASP246
BTYR299
BTRP384
BHOH2492
BHOH2594

site_idBC1
Number of Residues8
DetailsBINDING SITE FOR RESIDUE PNX A 1435
ChainResidue
ATRP137
ATYR178
AASP246
AALA248
AGLY249
ASER250
APHE251
AARG301

site_idBC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE PNX B 2434
ChainResidue
BTRP137
BTYR178
BASP246
BALA248
BGLY249
BPHE251
BSER252
BARG301

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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