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Structure of PDB 5tvg Chain B Binding Site BS01

Receptor Information
>5tvg Chain B (length=454) Species: 269482 (Burkholderia vietnamiensis G4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMSRLIVVSNRVAGGLAVGVMDALKQTGGVWFGWNGEIVGTPDAAPAVRR
DGNVTYATLGLTRRDYDQYYRGFSNATLWPVFHYRSDLARFDRQEYAGYL
RVNAMLARQLAALLRPDDLIWVHDYHLLPFAHCLRELGVKNPIGFFLHIP
FPSPDMLRVVPPHDELVKFMCAYDIAGFQTDADKRAFSDYIERRGIGTAS
GMLHAHGRVVKVAAYPIGVYPDAIAEAAVQYGGRKPVKMLRDALGGRKLV
MSVDRLDYSKGLVERFQSFERMLAGAPDWQGRVSFVQIAPPTRSDVQTYQ
RIRETLEREAGRINGRFAQLDWTPIQYLNRKYERNLLMAFFRMSQVGYVT
PLRDGMNLVAKEYVASQDPADPGVLVLSEFAGAAAELGGALLVNPYDHAQ
MADALARALAMPLAERQARHEENLAQLRNNDLSVWRDTFVADLRSVAAAA
SVTQ
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 chain5tvg Chain B Residue 501 [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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PDB5tvg Crystal structure of an alpha,alpha-trehalose-phosphate synthase (UDP-forming) from Burkholderia vietnamiensis
Resolution2.3 Å
Binding residue
(original residue number in PDB)		V263 R265 K270 Y342 R344 L347 L368 V369 E372
Binding residue
(residue number reindexed from 1)		V253 R255 K260 Y332 R334 L337 L358 V359 E362
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) H156 D364
Catalytic site (residue number reindexed from 1) H148 D354
Enzyme Commision number 2.4.1.15: alpha,alpha-trehalose-phosphate synthase (UDP-forming).
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003824 catalytic activity
GO:0003825 alpha,alpha-trehalose-phosphate synthase (UDP-forming) activity
GO:0016757 glycosyltransferase activity
GO:0016758 hexosyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0005992 trehalose biosynthetic process

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Molecular Function
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Biological Process
External links

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