Structure of PDB 8aii Chain A Binding Site BS03

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 IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain8aii Chain A Residue 303 [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)		N119 D121 T122
Binding residue
(residue number reindexed from 1)		N88 D90 T91
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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