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2A3A

Crystal structure of Aspergillus fumigatus chitinase B1 in complex with theophylline

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 B 1001
ChainResidue
AARG126
AGLN414
BSER103
BHOH2578

site_idAC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A 1002
ChainResidue
ATHR149
AASP150
AHOH1699

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 B 1003
ChainResidue
BHOH2613
BHOH2618
BTHR149
BASP150

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A 1004
ChainResidue
AASN181
AASP182
AHOH1663

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
AHOH1666

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 B 1007
ChainResidue
BHIS229
BLEU230
BLYS231
BASP232

site_idAC8
Number of Residues10
DetailsBINDING SITE FOR RESIDUE TEP A 1433
ChainResidue
APHE76
AGLY136
ATRP137
AGLU177
AMET243
ATYR245
AASP246
ATRP384
AHOH1651
AHOH1736

site_idAC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE TEP A 1434
ChainResidue
ATRP52
ATHR138
ATYR139
AHOH1605

site_idBC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE TEP A 1435
ChainResidue
ATRP137
AGLU177
ATYR178
ATEP1436
AHOH1651

site_idBC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE TEP A 1436
ChainResidue
APHE251
AARG301
ATEP1435
AHOH1745

site_idBC3
Number of Residues8
DetailsBINDING SITE FOR RESIDUE TEP B 2433
ChainResidue
BPHE76
BGLY136
BTRP137
BGLU177
BMET243
BTYR245
BTYR299
BTRP384

site_idBC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE TEP B 2434
ChainResidue
AGLN364
AASN367
BTRP52
BTHR138
BHOH2498
BHOH2648

site_idBC5
Number of Residues2
DetailsBINDING SITE FOR RESIDUE TEP B 2435
ChainResidue
BTRP137
BTEP2436

site_idBC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE TEP B 2436
ChainResidue
BTRP137
BPHE251
BARG301
BTEP2435
BHOH2702

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 2025-06-18

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