Structure of PDB 8aii Chain A Binding Site BS02

Receptor Information
>8aii Chain A (length=181) Species: 1352 (Enterococcus faecium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKQVGILGGTFNPVHLAHLVMAEQAGRNLGLDRVFLMPSYQTIDAKHRLN
MLELAVEDNPFLQIETIELARGGKSYTYDTMKELTQNNPDTDYYFIIGGD
MVEYLPKWYKIDELTSMVNFVGIRRPGYTTDTPYPVIWVDVPEIDISSTK
IRQKIKEGCSIRYLVPDKVIDYIQNEGLYEY
Ligand information
Ligand IDADE
InChIInChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
InChIKeyGFFGJBXGBJISGV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2[nH]cnc12
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)c(ncn2)N
ACDLabs 10.04n1c(c2ncnc2nc1)N
FormulaC5 H5 N5
NameADENINE
ChEMBLCHEMBL226345
DrugBankDB00173
ZINCZINC000000000882
PDB chain8aii Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8aii Obtaining high yield recombinant Enterococcus faecium nicotinate nucleotide adenylyltransferase for X-ray crystallography and biophysical studies.
Resolution1.82 Å
Binding residue
(original residue number in PDB)		G32 T33 F34 H38 H41 S178 S179
Binding residue
(residue number reindexed from 1)		G9 T10 F11 H15 H18 S147 S148
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.18: nicotinate-nucleotide adenylyltransferase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004515 nicotinate-nucleotide adenylyltransferase activity
GO:0005524 ATP binding
GO:0016779 nucleotidyltransferase activity
GO:0070566 adenylyltransferase activity
Biological Process
GO:0009058 biosynthetic process
GO:0009165 nucleotide biosynthetic process
GO:0009435 NAD biosynthetic process
GO:0019363 pyridine nucleotide biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:8aii, PDBe:8aii, PDBj:8aii
PDBsum8aii
PubMed37544558
UniProtA0A133MWI0

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