Structure of PDB 2xmp Chain A Binding Site BS01

Receptor Information
>2xmp Chain A (length=412) Species: 53953 (Pyrococcus horikoshii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MYEVKEFSSGKRKLEDYKSIIGEEEVSKIQEKAEKLKGRSFVHVNSTSFG
GGVAEILHSLVPLLRSIGIEARWFVIEGPTEFFNVTKTFHNALQGNESLK
LTEEMKELYLNVNRENSKFIDLSSFDYVLVHDPQPAALIEFYEKKSPWLW
RCHIDLSSPNREFWEFLRRFVEKYDRYIFHLPEYVQPELDRNKAVIMPPS
IDPLSEKNVELKQTEILRILERFDVDPEKPIITQVSRFDPWKGIFDVIEI
YRKVKEKIPGVQLLLVGVMAHDDPEGWIYFEKTLRKIGEDYDVKVLTNLI
GVHAREVNAFQRASDVILQMSIRAGFGLTVTEAMWKGKPVIGRAVGGIKF
QIVDGETGFLVRDANEAVEVVLYLLKHPEVSKEMGAKAKERVRKNFIITK
HMERYLDILNSL
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 chain2xmp Chain A Residue 7517 [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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PDB2xmp Structural Insights on the New Mechanism of Trehalose Synthesis by Trehalose Synthase Tret from Pyrococcus Horikoshii.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		K209 S238 G269 V270 G327 G329 L330 E334
Binding residue
(residue number reindexed from 1)		K207 S236 G267 V268 G325 G327 L328 E332
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.1.245: alpha,alpha-trehalose synthase.
Gene Ontology
Molecular Function
GO:0016757 glycosyltransferase activity
GO:0102986 trehalose synthase activity
Biological Process
GO:0006006 glucose metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2xmp, PDBe:2xmp, PDBj:2xmp
PDBsum2xmp
PubMed20888836
UniProtO58762|TRET_PYRHO Trehalose synthase (Gene Name=treT)

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