Structure of PDB 3wki Chain A Binding Site BS02

Receptor Information
>3wki Chain A (length=407) Species: 29549 (Rhodothermus marinus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TETIPDVRRLRALQAEVHEELTENILKFWATRTHDPVHGGFVGRVGPDGR
PHPEAPRGAILNARILWTFAAAYRQLGTPLYREMAERAYRYFVRHFVDAE
HGGVYWMVAADGRPLDTRKHVYAQSFAIYALSEWHRATGGEAALALARSI
YDLIETHCADRVHGGYVEACDRAWRPLEDARLSAKDAPEPRSMNTHLHVL
EAYANLYRVWPETELAARLQALIELFLRAIYHPATGHLILFFDERWRPRS
RAVSFGHDIEASWLLLEAVDVLGQATLRPRVQQASLHLARATLAEGRAPD
GSLYYEIGEQGHLDTDRHWWPQAEALVGFLNAYQESGEVLFYEAAEDVWR
YIRERQRDTRGGEWFARVRDDGAPYPDDKVDFWKGPYHNGRACLEAIQRL
RHLLEHV
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 chain3wki Chain B Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3wki Structural Insights into the Epimerization of beta-1,4-Linked Oligosaccharides Catalyzed by Cellobiose 2-Epimerase, the Sole Enzyme Epimerizing Non-anomeric Hydroxyl Groups of Unmodified Sugars
Resolution2.191 Å
Binding residue
(original residue number in PDB)		S185 D188
Binding residue
(residue number reindexed from 1)		S183 D186
Annotation score3
Enzymatic activity
Enzyme Commision number 5.1.3.11: cellobiose epimerase.
Gene Ontology
Molecular Function
GO:0016853 isomerase activity
GO:0047736 cellobiose epimerase activity
GO:0050121 N-acylglucosamine 2-epimerase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006044 N-acetylglucosamine metabolic process
GO:0006051 N-acetylmannosamine metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3wki, PDBe:3wki, PDBj:3wki
PDBsum3wki
PubMed24362032
UniProtF8WRK9|CEEP_RHOMR Cellobiose 2-epimerase (Gene Name=ce)

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