Structure of PDB 2r68 Chain A Binding Site BS02

Receptor Information
>2r68 Chain A (length=456) Species: 373903 (Halothermothrix orenii H 168) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IKHVAFLNPQGNFDPADSYWTEHPDFGGQLVYVKEVSLALAEMGVQVDII
TRRIKDENWPEFSGEIDYYQETNKVRIVRIPFGGDKFLPKEELWPYLHEY
VNKIINFYREEGKFPQVVTTHYGDGGLAGVLLKNIKGLPFTFTGHSLGAQ
KMEKLNVNTSNFKEMDERFKFHRRIIAERLTMSYADKIIVSTSQERFGQY
SHDLYRGAVNVEDDDKFSVIPPGVNTRVFDGEYGDKIKAKITKYLERDLG
SERMELPAIIASSRLDQKKNHYGLVEAYVQNKELQDKANLVLTLRGIENP
FEDYSRAGQEEKEILGKIIELIDNNDCRGKVSMFPLNSQQELAGCYAYLA
SKGSVFALTSFYEPFGLAPVEAMASGLPAVVTRNGGPAEILDGGKYGVLV
DPEDPEDIARGLLKAFESEETWSAYQEKGKQRVEERYTWQETARGYLEVI
QEIADR
Ligand information
Ligand IDF6P
InChIInChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1
InChIKeyBGWGXPAPYGQALX-ARQDHWQXSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OCC1OC(O)(CO)C(O)C1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)(CO)O)O)O)OP(=O)(O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O
CACTVS 3.341OC[C]1(O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O
CACTVS 3.341OC[C@@]1(O)O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1O
FormulaC6 H13 O9 P
Name6-O-phosphono-beta-D-fructofuranose;
FRUCTOSE-6-PHOSPHATE;
6-O-phosphono-beta-D-fructose;
6-O-phosphono-D-fructose;
6-O-phosphono-fructose
ChEMBLCHEMBL604196
DrugBank
ZINCZINC000004096690
PDB chain2r68 Chain B Residue 2 [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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PDB2r68 The Structure of Sucrose Phosphate Synthase from Halothermothrix orenii Reveals Its Mechanism of Action and Binding Mode
Resolution2.4 Å
Binding residue
(original residue number in PDB)		Q16 G33 Q35 K96 Y128 S152 K157 R180
Binding residue
(residue number reindexed from 1)		Q10 G27 Q29 K90 Y122 S146 K151 R174
Annotation score5
Enzymatic activity
Enzyme Commision number 2.4.1.14: sucrose-phosphate synthase.
Gene Ontology
Molecular Function
GO:0016157 sucrose synthase activity
GO:0016757 glycosyltransferase activity
GO:0046524 sucrose-phosphate synthase activity
Biological Process
GO:0005985 sucrose metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2r68, PDBe:2r68, PDBj:2r68
PDBsum2r68
PubMed18424616
UniProtB8CZ51

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