Structure of PDB 5eke Chain A Binding Site BS01

Receptor Information
>5eke Chain A (length=288) Species: 1111708 (Synechocystis sp. PCC 6803 substr. Kazusa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FQSNATIELSIVIPMYNEEDNLEHLFARLLEVLTPLKITYEIICVNDGSK
DKTLKQLIDCYQSNRQIKIVNLSRNFGKEIALSAGIDYAQGNAVIPIDAD
LQDPPELIHELVDKWREGYDIVYATRRSRQGMTEIKIPPNTGDFRLMDRK
VVNAIKQLPERTRFMKGLFAWVGYRQTFVLFDRNYWKLWNAALDGIFSFS
LLPLKVWTYLGSIISLLSLAYASFLILKTITLGDVPGYASLMVAILFLGG
VQLISLGVIGEYLGRVYEEVKARPLYLVSDLWGLEYLP
Ligand information
Ligand IDUDP
InChIInChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyXCCTYIAWTASOJW-XVFCMESISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O
CACTVS 3.370O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
CACTVS 3.370O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.7.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O
FormulaC9 H14 N2 O12 P2
NameURIDINE-5'-DIPHOSPHATE
ChEMBLCHEMBL130266
DrugBankDB03435
ZINCZINC000004490939
PDB chain5eke Chain A Residue 401 [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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PDB5eke Structure of the polyisoprenyl-phosphate glycosyltransferase GtrB and insights into the mechanism of catalysis.
Resolution3.001 Å
Binding residue
(original residue number in PDB)		P10 M11 Y12 E14 D43 K74 D94 A95 D96
Binding residue
(residue number reindexed from 1)		P14 M15 Y16 E18 D47 K78 D98 A99 D100
Annotation score4
Enzymatic activity
Enzyme Commision number 2.4.-.-
Gene Ontology
Molecular Function
GO:0016757 glycosyltransferase activity
Cellular Component
GO:0005886 plasma membrane

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:5eke, PDBe:5eke, PDBj:5eke
PDBsum5eke
PubMed26729507
UniProtQ55487|Y501_SYNY3 Uncharacterized glycosyltransferase sll0501 (Gene Name=sll0501)

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