Structure of PDB 5tvg Chain H Binding Site BS01

Receptor Information
>5tvg Chain H (length=443) Species: 269482 (Burkholderia vietnamiensis G4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SRLIVVSNLAVGVMDALKQTGGVWFGWNGEIVGTPDAAPAVRRDGNVTYA
TLGLTRRDYDQYYRGFSNATLWPVFHYRSDLARFDRQEYAGYLRVNAMLA
RQLAALLRPDDLIWVHDYHLLPFAHCLRELGVKNPIGFFLHIPFPSPDML
RVVPPHDELVKFMCAYDIAGFQTDADKRAFSDYIERRGIGTASDDGMLHA
HGRVVKVAAYPIGVYPDAIAEAAVQYGGRKPVKMLRDALGGRKLVMSVDR
LDYSKGLVERFQSFERMLAGAPDWQGRVSFVQIAPPTRSDVQTYQRIRET
LEREAGRINGRFAQLDWTPIQYLNRKYERNLLMAFFRMSQVGYVTPLRDG
MNLVAKEYVASQDPADPGVLVLSEFAGAAAELGGALLVNPYDHAQMADAL
ARALAMPLAERQARHEENLAQLRNNDLSVWRDTFVADLRSVAA
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 H Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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)		R265 K270 K341 Y342 L347 N367 L368 E372
Binding residue
(residue number reindexed from 1)		R250 K255 K326 Y327 L332 N352 L353 E357
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) H156 D364
Catalytic site (residue number reindexed from 1) H141 D349
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5tvg, PDBe:5tvg, PDBj:5tvg
PDBsum5tvg
PubMed
UniProtA4JGS8

[Back to BioLiP]