Structure of PDB 8aih Chain A Binding Site BS01

Receptor Information
>8aih Chain A (length=184) Species: 1352 (Enterococcus faecium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKKQVGILGGTFNPVHLAHLVMAEQAGRNLGLDRVFLMPSYQPPHVIDAK
HRLNMLELAVEDNPFLQIETIELARGGKSYTYDTMKELTQNNPDTDYYFI
IGGDMVEYLPKWYKIDELTSMVNFVGIRRGYTTDTPYPVIWVDVPEIDIS
STKIRQKIKEGCSIRYLVPDKVIDYIQNEGLYEY
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain8aih Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8aih Obtaining high yield recombinant Enterococcus faecium nicotinate nucleotide adenylyltransferase for X-ray crystallography and biophysical studies.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		Y107 T108 Y140
Binding residue
(residue number reindexed from 1)		Y80 T81 Y113
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:8aih, PDBe:8aih, PDBj:8aih
PDBsum8aih
PubMed37544558
UniProtA0A133MWI0

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