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3CH9

Crystal structure of Aspergillus fumigatus chitinase B1 in complex with dimethylguanylurea

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 434
ChainResidue
AARG126
AGLN414
BSER103
BHOH486

site_idAC2
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 A 434
ChainResidue
ATHR149
AASP150

site_idAC3
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 B 435
ChainResidue
BTHR149
BASP150

site_idAC4
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 B 436
ChainResidue
BHIS339
AASN323

site_idAC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A 435
ChainResidue
AASN181
AASP182
AHOH648

site_idAC6
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 B 437
ChainResidue
BASN181
BASP182

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 436
ChainResidue
AHIS229
ALEU230
ALYS231
AASP232

site_idAC8
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 B 438
ChainResidue
BARG428
BASN429

site_idAC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 439
ChainResidue
BHIS229
BLEU230
BLYS231
BASP232
BHOH643

site_idBC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A 437
ChainResidue
ASER103
ATRP104
ASER105

site_idBC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 B 440
ChainResidue
BARG283
BALA289
BHOH532
BHOH573

site_idBC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 B 441
ChainResidue
BARG68
BHOH576
BHOH629

site_idBC4
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 A 438
ChainResidue
AARG68
AHOH638

site_idBC5
Number of Residues9
DetailsBINDING SITE FOR RESIDUE XRG A 439
ChainResidue
ATYR48
ATRP137
AASP175
AGLU177
AMET243
ATYR245
AASP246
ATRP384
AHOH601

site_idBC6
Number of Residues8
DetailsBINDING SITE FOR RESIDUE XRG B 442
ChainResidue
BTYR48
BTRP137
BASP175
BGLU177
BMET243
BTYR245
BASP246
BTRP384

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 2024-11-06

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