Structure of PDB 2bof Chain X Binding Site BS02

Receptor Information
>2bof Chain X (length=278) Species: 2021 (Thermobifida fusca) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPFYVNPNMSSAEWVRNNPNDPRTPVIRDRIASVPQGTWFAHHNPGQITG
QVDALMSAAQAAGKIPILVVSNAPGRDCGAPSHSAYRSWIDEFAAGLKNR
PAYIIVEPDLISLMSSCMQHVQQEVLETMAYAGKALKAGSSQARIYFDAG
HSAWHSPAQMASWLQQADISNSAHGIATNTSNYRWTADEVAYAKAVLSAI
GNPSLRAVIDTSRNGNGPAGNEWCDPSGRAIGTPSTTNTGDPMIDAFLWI
KLPGEADGCIAGAGQFVPQAAYEMAIAA
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 chain2bof 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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PDB2bof Crystal Structure of Thermobifida Fusca Endoglucanase Cel6A in Complex with Substrate and Inhibitor: The Role of Tyrosine Y73 in Substrate Ring Distortion.
Resolution1.64 Å
Binding residue
(original residue number in PDB)		W231 K259 D265
Binding residue
(residue number reindexed from 1)		W223 K251 D257
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D117
Catalytic site (residue number reindexed from 1) D109
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:2bof, PDBe:2bof, PDBj:2bof
PDBsum2bof
PubMed16185060
UniProtP26222|GUN2_THEFU Endoglucanase E-2 (Gene Name=celB)

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