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Structure of PDB 1ya6 Chain B Binding Site BS03

Receptor Information
>1ya6 Chain B (length=377) Species: 10665 (Tequatrovirus T4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MGSMRICIFMARGLEGCGVTKFSLEQRDWFIKNGHEVTLVYAKDKSFTRT
SSHDHKSFSIPVILAKEYDKALKLVNDCDILIINSVPATSVQEATINNYK
KLLDNIKPSIRVVVYQHDHSVLSLRRNLGLEETVRRADVIFSHSDPTVYN
FQPPMDIVKVRSTYWKDVSEINMNINRWIGRTTTWKGFYQMFDFHEKFLK
PAGKSTVMEGLERSPAFIAIKEKGIPYEYYGNREIDKMNLAPNQPAQILD
CYINSEMLERMSKSGFGYQLSKLNQKYLQRSLEYTHLELGACGTIPVFWK
STGENLKFRVDNTPLTSHDSGIIWFDENDMESTFERIKELSSDRALYDRE
REKAYEFLYQHQDSSFCFKEQFDIITK
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 chain1ya6 Chain B Residue 3001 [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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PDB1ya6 Structural evidence of a passive base-flipping mechanism for AGT, an unusual GT-B glycosyltransferase.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		C1014 G1015 R1046 S1049 H1050 R1204 K1209 C1274 Y1275 N1277 E1306 Y1307 T1308 E1311
Binding residue
(residue number reindexed from 1)		C17 G18 R49 S52 H53 R181 K186 C251 Y252 N254 E283 Y284 T285 E288
Annotation score4
Enzymatic activity
Enzyme Commision number 2.4.1.26: DNA alpha-glucosyltransferase.
Gene Ontology
Molecular Function
GO:0016757 glycosyltransferase activity
GO:0033820 DNA alpha-glucosyltransferase activity
Biological Process
GO:0006304 DNA modification
GO:0019049 virus-mediated perturbation of host defense response
GO:0039504 symbiont-mediated suppression of host adaptive immune response
GO:0098672 symbiont-mediated suppression of host CRISPR-cas system
GO:0099018 symbiont-mediated evasion of host restriction-modification system

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1ya6, PDBe:1ya6, PDBj:1ya6
PDBsum1ya6
PubMed16081100
UniProtP04519|GSTA_BPT4 DNA alpha-glucosyltransferase (Gene Name=agt)

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