Structure of PDB 5gy0 Chain A Binding Site BS01

Receptor Information
>5gy0 Chain A (length=599) Species: 1515 (Acetivibrio thermocellus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SYNYAEALQKAIYFYECQQAGPLPEWNRVEWRGDATMNDEVLGGWYDAGD
HVKFNLPMAYSAAMLGWALYEYGDDIEASGQRLHLERNLAFALDYLVACD
RGDSVVYQIGDGAADHKWWGSAEVIEKEMTRPYFVGKGSAVVGQMAAALA
VGSIVLKNDTYLRYAKKYFELADATRSDSTYTAANGFYSSHSGFWDELLW
ASTWLYLATGDRNYLDKAESYTPKLNRQNQTTDIEYQWAHCWDDCHYGAM
ILLARATGKEEYHKFAQMHLDWWTPQGYNGKRVAYTPGGLAHLDTWGPLR
YATTEAFLAFVYADSINDPALKQKYYNFAKSQIDYALGSNPDNRSYVVGF
GNNPPQRPHHRTAHGTWLDKRDIPEKHRHVLYGALVGGPGRDDSYEDNIE
DYVKNAVACDYNAGFVGALCRLTAEYGGTPLANFPPPEQRDDEFFVEAAI
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 chain5gy0 Chain C Residue 1 [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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PDB5gy0 Crystal Structures of the C-Terminally Truncated Endoglucanase Cel9Q from Clostridium thermocellum Complexed with Cellodextrins and Tris.
Resolution1.74 Å
Binding residue
(original residue number in PDB)		H145 F216 Y217 W325 Y440
Binding residue
(residue number reindexed from 1)		H116 F187 Y188 W296 Y411
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D76 D79 Y217 A435
Catalytic site (residue number reindexed from 1) D47 D50 Y188 A406
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:5gy0, PDBe:5gy0, PDBj:5gy0
PDBsum5gy0
PubMed30609216
UniProtQ9AJF8

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