Structure of PDB 2bod Chain X Binding Site BS03

Receptor Information
>2bod Chain X (length=279) Species: 2021 (Thermobifida fusca) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DSPFYVNPNMSSAEWVRNNPNDPRTPVIRDRIASVPQGTWFAHHNPGQIT
GQVDALMSAAQAAGKIPILVVYNAPGRDCGAPSHSAYRSWIDEFAAGLKN
RPAYIIVEPDLISLMSSCMQHVQQEVLETMAYAGKALKAGSSQARIYFDA
GHSAWHSPAQMASWLQQADISNSAHGIATNTSNYRWTADEVAYAKAVLSA
IGNPSLRAVIDTSRNGNGPAGNEWCDPSGRAIGTPSTTNTGDPMIDAFLW
IKLPGEADGCIAGAGQFVPQAAYEMAIAA
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 chain2bod Chain A Residue 3 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2bod Crystal Structure of Thermobifida Fusca Endoglucanase Cel6A in Complex with Substrate and Inhibitor: The Role of Tyrosine Y73 in Substrate Ring Distortion.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		W41 Y73 S189 W231 K259 D265
Binding residue
(residue number reindexed from 1)		W40 Y72 S182 W224 K252 D258
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D117
Catalytic site (residue number reindexed from 1) D110
Enzyme Commision number 3.2.1.4: cellulase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0030245 cellulose catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:2bod, PDBe:2bod, PDBj:2bod
PDBsum2bod
PubMed16185060
UniProtP26222|GUN2_THEFU Endoglucanase E-2 (Gene Name=celB)

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