Structure of PDB 4m82 Chain A Binding Site BS02

Receptor Information
>4m82 Chain A (length=393) Species: 237561 (Candida albicans SC5314) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
WDYDNNVIRGVNLGGWFVLEPYMTPSLFEPFQNGNDQSGVPVDEYHWTQT
LGKEAALRILQKHWSTWITEQDFKQISNLGLNFVRIPIGYWAFQLLDNDP
YVQGQVQYLEKALGWARKNNIRVWIDLHGAPGSQNGFDNSGLRDSYNFQN
GDNTQVTLNVLNTIFKKYGGNEYSDVVIGIELLNEPLGPVLNMDKLKQFF
LDGYNSLRQTGSVTPVIIHDAFQVFGYWNNFLTVAEGQWNVVVDHHHYQV
FSGGELSRNINDHISVACNWGWDAKKESHWNVAGSWSAALTDCAKWLNGV
NRGARYEGAYDNAPYIGSCQPLLDISQWSDEHKTDTRRYIEAQLDAFEYT
GGWVFWSWKTENAPEWSFQTLTYNGLFPQPVTDRQFPNQCGFH
Ligand information
Ligand IDBGC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain4m82 Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4m82 Major Change in Regiospecificity for the Exo-1,3-beta-glucanase from Candida albicans following Its Conversion to a Glycosynthase.
Resolution1.592 Å
Binding residue
(original residue number in PDB)		W246 N247 V248 S285 H286 W287
Binding residue
(residue number reindexed from 1)		W239 N240 V241 S278 H279 W280
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E192 S292
Catalytic site (residue number reindexed from 1) E185 S285
Enzyme Commision number 2.4.1.-
3.2.1.58: glucan 1,3-beta-glucosidase.
Gene Ontology
Molecular Function
GO:0004338 glucan exo-1,3-beta-glucosidase activity
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016740 transferase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0050839 cell adhesion molecule binding
Biological Process
GO:0000272 polysaccharide catabolic process
GO:0005975 carbohydrate metabolic process
GO:0006696 ergosterol biosynthetic process
GO:0007155 cell adhesion
GO:0009251 glucan catabolic process
GO:0031505 fungal-type cell wall organization
GO:0031589 cell-substrate adhesion
GO:0044011 single-species biofilm formation on inanimate substrate
GO:0044042 glucan metabolic process
GO:0044407 single-species biofilm formation in or on host organism
GO:0071555 cell wall organization
Cellular Component
GO:0005576 extracellular region
GO:0009986 cell surface
GO:1903561 extracellular vesicle

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4m82, PDBe:4m82, PDBj:4m82
PDBsum4m82
PubMed24804868
UniProtP29717|EXG1_CANAL Glucan 1,3-beta-glucosidase (Gene Name=XOG1)

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