Structure of PDB 4u5k Chain B Binding Site BS01

Receptor Information
>4u5k Chain B (length=298) Species: 203119 (Acetivibrio thermocellus ATCC 27405) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKAVDPFEMVRKMGMGTNLGNTLEAPYEGSWSKSAMEYYFDDFKAAGYKN
VRIPVRWDNHTMRTYPYTIDKAFLDRVEQVVDWSLSRGFVTIINSHHDDW
IKEDYNGNIERFEKIWEQIAERFKNKSENLLFEIMNEPFGNITDEQIDDM
NSRILKIIRKTNPTRIVIIGGGYWNSYNTLVNIKIPDDPYLIGTFHYYDP
YEFGTWGTQEDMDTVVRVFDFVKSWSDRNNIPVYFGAFAVMAYADRTSRV
KWYDFISDAALERGFACSVWDNGVFGNDMAIYNRDTRTFDTEILNALF
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 chain4u5k Chain D 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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PDB4u5k Biochemical Characterization and Structural Analysis of a Bifunctional Cellulase/Xylanase from Clostridium thermocellum
Resolution2.65 Å
Binding residue
(original residue number in PDB)		H168 H169 N208 E209 A314 V317 W347
Binding residue
(residue number reindexed from 1)		H96 H97 N136 E137 A237 V240 W270
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.4: cellulase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
Biological Process
GO:0000272 polysaccharide catabolic process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:4u5k, PDBe:4u5k, PDBj:4u5k
PDBsum4u5k
PubMed25575592
UniProtP16218|GUNH_ACET2 Endoglucanase H (Gene Name=celH)

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