Structure of PDB 5gy1 Chain B Binding Site BS03

Receptor Information
>5gy1 Chain B (length=599) Species: 1515 (Acetivibrio thermocellus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SYNYAEALQKAIYFYECQQAGPLPEWNRVEWRGDATMNDEVLGGWYDAGA
HVKFNLPMAYSAAMLGWALYEYGDDIEASGQRLHLERNLAFALDYLVACD
RGDSVVYQIGDGAADHKWWGSAEVIEKEMTRPYFVGKGSAVVGQMAAALA
VGSIVLKNDTYLRYAKKYFELADATRSDSTYTAANGFYSSHSGFWDELLW
ASTWLYLATGDRNYLDKAESYTPKLNRQNQTTDIEYQWAHCWDDCHYGAM
ILLARATGKEEYHKFAQMHLDWWTPQGYNGKRVAYTPGGLAHLDTWGPLR
YATTEAFLAFVYADSINDPALKQKYYNFAKSQIDYALGSNPDNRSYVVGF
GNNPPQRPHHRTAHGTWLDKRDIPEKHRHVLYGALVGGPGRDDSYEDNIE
DYVKNEVACDYNAGFVGALCRLTAEYGGTPLANFPPPEQRDDEFFVEAAI
NQASDHFTEIKALLNNRSSWPARLIKDLSYNYYMDLTEVFEAGYSVDDIK
VTIGYCESGMDVEISPITHLYDNIYYIKISYIDGTNICPIGQEQYAAELQ
FRIAAPQGTKFWDPTNDFSYQGLTRELAKTKYMPVFDGATKIFGEVPGG
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 chain5gy1 Chain D Residue 3 [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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PDB5gy1 Crystal Structures of the C-Terminally Truncated Endoglucanase Cel9Q from Clostridium thermocellum Complexed with Cellodextrins and Tris.
Resolution1.99 Å
Binding residue
(original residue number in PDB)		E264 W267 D272
Binding residue
(residue number reindexed from 1)		E235 W238 D243
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D76 A79 Y217 E435
Catalytic site (residue number reindexed from 1) D47 A50 Y188 E406
Enzyme Commision number 3.2.1.-
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0030246 carbohydrate binding
GO:0030248 cellulose binding
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:5gy1, PDBe:5gy1, PDBj:5gy1
PDBsum5gy1
PubMed30609216
UniProtQ9AJF8

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