Structure of PDB 5v0t Chain E Binding Site BS01

Receptor Information
>5v0t Chain E (length=457) Species: 266265 (Paraburkholderia xenovorans LB400) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GRLIIVSNRVAPISEGGPAAGGLAVGVYDALKETGGMWFGWSGDVLSSGQ
PQIKVEERGPVTFATIALMRRDYDQYYRGFSNATLWPAFHYRADLLQYDR
HDFEGYWRVNAWLAQQLVPLLREDDVIWVHDYHLIPFAQALRAAGVKNRI
GFFLHIPFPASQVLLAVPPHRELVEALCSFDLLGFQTAPDLRAFCDYIVN
EANGTADPSASGPLTIHAFGRTLRAAAYPIGVYPDEIAELAKAGERGKPV
RTMKATLHSRKLIMSVDRLDYSKGLVERFRAFERLLEHSTAQRNKVSFLQ
IAPPTRADMHAYQDIRLQLEGESGRINGRFAELDWTPILYIHKQYERSVL
AALFRTAHVGYVTPLRDGMNLVAKEYVSAQDPENPGVLVLSRFAGAAQEL
DGALIVNPVDIDGMAEALARALDMPLAERQARHRDMMVQLRENNVSVWRD
NFMRDLQ
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 chain5v0t Chain E 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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PDB5v0t Crystal structure of an alpha,alpha-trehalose-phosphate synthase (UDP-forming) from Burkholderia xenovorans in complex with glucose-6-phosphate
Resolution1.95 Å
Binding residue
(original residue number in PDB)		A29 G30 G31 V34 V275 R277 K282 Q353 Y354 L359 N379 L380 V381 E384
Binding residue
(residue number reindexed from 1)		A20 G21 G22 V25 V266 R268 K273 Q344 Y345 L350 N370 L371 V372 E375
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) H164 D376
Catalytic site (residue number reindexed from 1) H155 D367
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
Biological Process
GO:0005992 trehalose biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5v0t, PDBe:5v0t, PDBj:5v0t
PDBsum5v0t
PubMed
UniProtQ13W28

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