Structure of PDB 5gxy Chain A Binding Site BS01

Receptor Information
>5gxy 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
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 chain5gxy 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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PDB5gxy Crystal Structures of the C-Terminally Truncated Endoglucanase Cel9Q from Clostridium thermocellum Complexed with Cellodextrins and Tris.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		H220 W267 C270 W271 Y330
Binding residue
(residue number reindexed from 1)		H191 W238 C241 W242 Y301
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D76 D79 Y217 E435
Catalytic site (residue number reindexed from 1) D47 D50 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:5gxy, PDBe:5gxy, PDBj:5gxy
PDBsum5gxy
PubMed30609216
UniProtQ9AJF8

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