Structure of PDB 5w5t Chain B Binding Site BS01

Receptor Information
>5w5t Chain B (length=412) Species: 358 (Agrobacterium tumefaciens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VQPLARDAMAYVLAGGRGSRLKELTDRRAKPAVYFGGKARIIDFALSNAL
NSGIRRIGVATQYKAHSLIRHLQRGWDFFRPERNESFDILPASQRTQWYE
GTADAVYQNIDIIEPYAPEYMVILAGDHIYKMDYEYMLQQHVDSGADVTI
GCLEVPRMEATGFGVMHVNEKDEIIDFIEKPADPPGIPGNEGFALASMGI
YVFHTKFLMEALRRDAADPTSSRDFGKDIIPYIVEHGKAVAHRFADSCVR
SDFEHEPYWRDVGTIDAYWQANIDLTDVVPDLDIYDKSWPIWTYAEITPP
AKFVHDDEDRRGSAVSSVVSGDCIISGAALNRSLLFTGVRANSYSRLENA
VVLPSVKIGRHAQLSNVVIDHGVVIPEGLIVGEDPELDAKRFRRTESGIC
LITQSMIDKLDL
Ligand information
Ligand ID9X7
InChIInChI=1S/C5H8O3/c1-3-8-5(7)4(2)6/h3H2,1-2H3
InChIKeyXXRCUYVCPSWGCC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385		CCOC(=O)C(C)=O
OpenEye OEToolkits 2.0.6CCOC(=O)C(=O)C
FormulaC5 H8 O3
Nameethyl 2-oxopropanoate
ChEMBLCHEMBL173373
DrugBankDB05869
ZINCZINC000001679741
PDB chain5w5t Chain A Residue 506 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5w5t Structural analysis reveals a pyruvate-binding activator site in theAgrobacterium tumefaciensADP-glucose pyrophosphorylase.
Resolution1.76 Å
Binding residue
(original residue number in PDB)		K44 A310 S329 G330
Binding residue
(residue number reindexed from 1)		K38 A301 S320 G321
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.27: glucose-1-phosphate adenylyltransferase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0008878 glucose-1-phosphate adenylyltransferase activity
GO:0016779 nucleotidyltransferase activity
Biological Process
GO:0005978 glycogen biosynthetic process
GO:0009058 biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:5w5t, PDBe:5w5t, PDBj:5w5t
PDBsum5w5t
PubMed30401744
UniProtP39669|GLGC_RHIRD Glucose-1-phosphate adenylyltransferase (Gene Name=glgC)

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