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Structure of PDB 5ofl Chain A Binding Site BS02

Receptor Information
>5ofl Chain A (length=339) Species: 521460 (Caldicellulosiruptor bescii DSM 6725) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DKMPDWNIPSLYESYKNDFRIGVAIPAKCLSNDTDRRMVLKHFNSITAEN
EMKPESLLAGQTSTGLNYRFSTADTFVDFANTNNIGIRGHTLVWHSQTPD
WFFKDSSGQRLTKDALLARLKQYIYDVVGRYKGKVYAWDVVNQAIDENQS
DGYRRSTWYEICGPEYIEKAFIWAHEADPNAKLFYNDYNTEISKKRDFIY
NMVKNLKSKGIPIHGIGMQCHINVNWPSVSEIENSIKLFSSIPGIEIHIT
QLDMSLYNYGSSENYSTPPQDLLQKQAQKYKELFTMLKKYTNVVKCVTFW
GLKDDYSWLRSFNGKNDWPLLLFEDYSAKPAYWAVIEAS
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 chain5ofl Chain B Residue 4 [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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PDB5ofl Insights into the roles of non-catalytic residues in the active site of a GH10 xylanase with activity on cellulose.
Resolution1.871 Å
Binding residue
(original residue number in PDB)
Q140 Y185 H218
Binding residue
(residue number reindexed from 1)
Q143 Y188 H221
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) Q140 N183 H218 Q248 D250
Catalytic site (residue number reindexed from 1) Q143 N186 H221 Q251 D253
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function

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Biological Process
External links

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