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2XUC

Natural product-guided discovery of a fungal chitinase inhibitor

Functional Information from GO Data
ChainGOidnamespacecontents
A0004553molecular_functionhydrolase activity, hydrolyzing O-glycosyl compounds
A0005975biological_processcarbohydrate metabolic process
B0004553molecular_functionhydrolase activity, hydrolyzing O-glycosyl compounds
B0005975biological_processcarbohydrate metabolic process
C0004553molecular_functionhydrolase activity, hydrolyzing O-glycosyl compounds
C0005975biological_processcarbohydrate metabolic process
Functional Information from PDB Data
site_idAC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE XRG A 1338
ChainResidue
ATYR34
AASP172
AGLU174
AGLN230
ATYR232
ATRP312
AXRG1339

site_idAC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE XRG A 1339
ChainResidue
AASN76
AALA124
ATYR125
ATRP312
AXRG1338
AGLN37
APHE60

site_idAC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE XRG B 1338
ChainResidue
BTYR34
BASP172
BGLU174
BGLN230
BTYR232
BTRP312
BXRG1339

site_idAC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE XRG B 1339
ChainResidue
BGLN37
BPHE60
BALA124
BTYR125
BTRP312
BXRG1338
BPO41341

site_idAC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE XRG C 1337
ChainResidue
CTYR34
CALA124
CASP172
CGLU174
CGLN230
CTYR232
CTRP312

site_idAC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE PO4 A 1340
ChainResidue
ATYR302
APRO303
AASP304
ATHR305

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE PO4 C 1338
ChainResidue
CTYR302
CPRO303
CASP304
CTHR305

site_idAC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE PO4 B 1340
ChainResidue
BGLN80
BCYS81
BASP82
BHIS101
BGLN102

site_idAC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE PO4 B 1341
ChainResidue
BGLN37
BASN76
BGLY78
BXRG1339

site_idBC1
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL B 1342
ChainResidue
BASP304
BTHR305

site_idBC2
Number of Residues1
DetailsBINDING SITE FOR RESIDUE CL A 1341
ChainResidue
AARG43

Functional Information from PROSITE/UniProt
site_idPS01095
Number of Residues9
DetailsGH18_1 Glycosyl hydrolases family 18 (GH18) active site signature. VDGFDFDiE
ChainResidueDetails
AVAL166-GLU174

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues3
DetailsACT_SITE: Proton donor => ECO:0000255|PROSITE-ProRule:PRU01258
ChainResidueDetails
AGLU174
BGLU174
CGLU174

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PDB entries from 2024-10-09

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