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Structure of PDB 5djs Chain D Binding Site BS01

Receptor Information
>5djs Chain D (length=520) Species: 166501 (Thermobaculum terrenum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTTRDAATIKALLSHAHEAQRSGDVLASERACWRVLQIAPDNSEALHLLG
LLHGECGNYGLAATLLRRAVALDPGEASYHYNLGNVLVASGQVERGITSL
HHALELRPDYHRAHSGLYVALHYSALYDPRARHILALDWARRYADPLTPV
PATPVDPDPHRRLRIGYVSGELRCHPVGYFLEPVIEAHDRTAYEVYCYSN
DPRSDALTDRLRALSDRWRDVWPLTDAELCELVRRDGIDILVDLSWHLGM
HRLFAFARRPAPVQVTWLAAINTTGMRAMDYLVGDQHLCPPGSDELYTER
LVRLSRFYLPCNPPPDLPGWAPADGFPVFGCFNRLSMIGPEVLDLWAKIL
LALPRARLRLIATGLQDPVTSSRLMRALEGRGVAGERLELLSPMPRTDLL
ATYNDIDVALDTLPYSGCTTSLEALWMGVPVVTLEGADMAGRATSSLLRW
AGLQELVSRTQEEYIDIALGLGRDLGTLARLREHLRRWLRSVSMSDQGSF
TAELEDAYRRMWRDACQTAA
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 chain5djs Chain D Residue 601 [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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PDB5djs Evidence for a Functional O-Linked N-Acetylglucosamine (O-GlcNAc) System in the Thermophilic Bacterium Thermobaculum terrenum.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		N337 R338 M341 P397 M398 G421 C422 T423 T424 E427
Binding residue
(residue number reindexed from 1)		N333 R334 M337 P393 M394 G417 C418 T419 T420 E423
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016757 glycosyltransferase activity

View graph for
Molecular Function
External links

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