Structure of PDB 8sya Chain B Binding Site BS02

Receptor Information
>8sya Chain B (length=361) Species: 262724 (Thermus thermophilus HB27) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
WVKILSVVGARPQFIKAAAVSRVLRASPGVREVLVHTGQHYDDNMSQVFF
EELEIPDPDYHLGIGGGTHGQNTGRMLEAIEGVLLKEKPDWVLVYGNTDS
TLAGALAAVKLHIPVAHVEAGLRSFNRRMPEEINRILTDHASDLLFAPTE
TAVQNLLREGIPENRIHLVGDVMYDAALHYGAKAERKSRILERLGLQAKG
YVLATIHRAENTDDQERLRVILEALAEVHQEVPVVFPVHPRTRKRAEAFG
LGSYLEKVVALEPVGYLDMVMLEKNARLIVTDSGGVQKEAYFYRVPCVTV
REETEWVELLKAEWNYLAAPQNAKDLALTILHRMRTKGVEIDLYGDGRAS
QKISDFLRKVG
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 chain8sya Chain B Residue 401 [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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PDB8sya Structural analysis of a bacterial UDP-sugar 2-epimerase reveals the active site architecture before and after catalysis.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		Q40 H41 Y42 D43 G67 H240 P241 R242 K245
Binding residue
(residue number reindexed from 1)		Q39 H40 Y41 D42 G66 H239 P240 R241 K244
Annotation score2
Enzymatic activity
Enzyme Commision number 5.1.3.14: UDP-N-acetylglucosamine 2-epimerase (non-hydrolyzing).
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003824 catalytic activity
GO:0008761 UDP-N-acetylglucosamine 2-epimerase activity
GO:0016853 isomerase activity

View graph for
Molecular Function
External links
PDB RCSB:8sya, PDBe:8sya, PDBj:8sya
PDBsum8sya
PubMed37660908
UniProtQ72KY0

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