Structure of PDB 8aih Chain A Binding Site BS02

Receptor Information

>8aih Chain A (length=184) Species: 1352 (Enterococcus faecium)

KKKQVGILGGTFNPVHLAHLVMAEQAGRNLGLDRVFLMPSYQPPHVIDAK
HRLNMLELAVEDNPFLQIETIELARGGKSYTYDTMKELTQNNPDTDYYFI
IGGDMVEYLPKWYKIDELTSMVNFVGIRRGYTTDTPYPVIWVDVPEIDIS
STKIRQKIKEGCSIRYLVPDKVIDYIQNEGLYEY

Ligand information

• Ligand ID: 2HP
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-1
• InChIKey: NBIIXXVUZAFLBC-UHFFFAOYSA-M
• SMILES:
  OpenEye OEToolkits 1.5.0: OP(=O)(O)[O-]
  ACDLabs 10.04: [O-]P(=O)(O)O
  CACTVS 3.341: O[P](O)([O-])=O
• Formula: H2 O4 P
• Name: DIHYDROGENPHOSPHATE ION
• DrugBank: DB02831
• PDB chain: 8aih Chain A Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8aih Obtaining high yield recombinant Enterococcus faecium nicotinate nucleotide adenylyltransferase for X-ray crystallography and biophysical studies.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): T33 F34 H41 S179
• Binding residue (residue number reindexed from 1): T11 F12 H19 S151
• Annotation score: 1

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

External links

• PDB: RCSB:8aih, PDBe:8aih, PDBj:8aih
• PDBsum: 8aih
• PubMed: 37544558
• UniProt: A0A133MWI0