Structure of PDB 2ej1 Chain A Binding Site BS01

Receptor Information
>2ej1 Chain A (length=509) Species: 1515 (Acetivibrio thermocellus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKVVDIRIDTSAERKPISPYIYGSNQELDATVTAKRFGGNRTTGYNWENN
FSNAGSDWLHYSDTYLLEDGGVPKGEWSTPASVVTTFHDKALSKNVPYTL
ITLQAAGYVSADGNGPVSQEETAPSSRWKEVKFEKGAPFSLTPDTEDDYV
YMDEFVNYLVNKYGNASTPTGIKGYSIDNQPALWSHTHPRIHPDNVTAKE
LIEKSVALSKAVKKVDPYAEIFGPALYGFAAYETLQSAPDWGTEGEGYRW
FIDYYLDKMKKASDEEGKRLLDVLDVHWYPEARGGGERICFGADPRNIET
NKARLQAPRTLWDPTYIEDSWIGQWKKDFLPILPNLLDSIEKYYPGTKLA
ITEYDYGGGNHITGGIAQADVLGIFGKYGVYLATFWGDASNNYTEAGINL
YTNYDGKGGKFGDTSVKCETSDIEVSSAYASIVGEDDSKLHIILLNKNYD
QPTTFNFSIDSSKNYTIGNVWAFDRGSSNITQRTPIVNIKDNTFTYTVPA
LTACHIVLE
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 chain2ej1 Chain B 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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PDB2ej1 Crystal structure of Cel44A, a glycoside hydrolase family 44 endoglucanase from Clostridium thermocellum.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		G45 N46 Q186 E359 W392
Binding residue
(residue number reindexed from 1)		G39 N40 Q180 E353 W386
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.151'
'3.2.1.4
External links