Structure of PDB 3fro Chain B Binding Site BS01

Receptor Information
>3fro Chain B (length=439) Species: 29292 (Pyrococcus abyssi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RHMKVLLLGFEFLPVKVGGLAEALTAISEALASLGHEVLVFTPSHGRFQG
EEIGKIRVFGEEVQVKVSYEERGNLRIYRIGGGLLDSEDVYGPGWDGLIR
KAVTFGRASVLLLNDLLREEPLPDVVHFHDWHTVFAGALIKKYFKIPAVF
TIHRLNKSKLPAFYFHEAGLSELAPYPDIDPEHTGGYIADIVTTVSRGYL
IDEWGFFRNFEGKITYVFNGIDCSFWNESYLTGSRDERKKSLLSKFGMDE
GVTFMFIGRFDRGQKGVDVLLKAIEILSSKKEFQEMRFIIIGKGDPELEG
WARSLEEKHGNVKVITEMLSREFVRELYGSVDFVIIPSYFEPFGLVALEA
MCLGAIPIASAVGGLRDIITNETGILVKAGDPGELANAILKALELSRSDL
SKFRENCKKRAMSFSWEKSAERYVKAYTGSIDRAFDFIL
Ligand information
Ligand IDNHF
InChIInChI=1S/C6H10O5/c7-1-4-6(10)5(9)3(8)2-11-4/h4-7,9-10H,1-2H2/t4-,5-,6-/m1/s1
InChIKeyOCLOLUFOLJIQDC-HSUXUTPPSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C@H]1OCC(=O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C1C(=O)C(C(C(O1)CO)O)O
CACTVS 3.341OC[CH]1OCC(=O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C1C(=O)[C@H]([C@@H]([C@H](O1)CO)O)O
ACDLabs 10.04O=C1COC(CO)C(O)C1O
FormulaC6 H10 O5
Name1,5-anhydro-D-fructose
ChEMBLCHEMBL1234723
DrugBank
ZINC
PDB chain3fro Chain B Residue 438 [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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PDB3fro Lyase activity of glycogen synthase: Is an elimination/addition mechanism a possible reaction pathway for retaining glycosyltransferases?
Resolution2.5 Å
Binding residue
(original residue number in PDB)		G17 H151 E339 G342 L343
Binding residue
(residue number reindexed from 1)		G19 H153 E341 G344 L345
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.1.21: starch synthase.
Gene Ontology
Molecular Function
GO:0004373 alpha-1,4-glucan glucosyltransferase (UDP-glucose donor) activity
GO:0016757 glycosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:3fro, PDBe:3fro, PDBj:3fro
PDBsum3fro
PubMed22648728
UniProtQ9V2J8

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