Structure of PDB 2i14 Chain F Binding Site BS01

Receptor Information

>2i14 Chain F (length=389) Species: 2261 (Pyrococcus furiosus)

MKRFYIANEDEIKAGKTTDVYFLRTKKILEVKNIRKKVLADVTTTSLPNN
WRWGVLVGVEEVAKLLEGIPVNVYAMPEGTIFHPYEPVLQIEGDYADFGI
YETALLGMLSQASGIATAALRIKIAAKFKPVYSFGIRHMHPAIAPMIDRA
AFIGGCDGVSGVLGAEMMGEKAVGTMPHALIITVGDQVKAWKYFDEVIEE
EVPRIALVDTFYDEKVEAVMAAEALGKKLFAVRLDTPSSRRGNFRKIIEE
VRWELKVRGYDWVKIFVSGGLDEEKIKEIVDVVDAFGVGGAIASAKPVDF
ALDIVEVEGKPIAKRGKLSGRKQVYRCENGHYHVVPANKKLERCPVCNAK
VEPLLKPIIENGEIVVEFPKAREIREYVLEQAKKFNLEI

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 2i14 Chain F Residue 2791

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2i14 Crystal structure of nicotinate-nucleotide pyrophosphorylase from Pyrococcus furiosus
• Resolution: 2.9 Å
• Binding residue (original residue number in PDB): C2727 H2731 C2744 C2747
• Binding residue (residue number reindexed from 1): C327 H331 C344 C347
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 6.3.4.21: nicotinate phosphoribosyltransferase.

Gene Ontology

Molecular Function

• GO:0004514 nicotinate-nucleotide diphosphorylase (carboxylating) activity
• GO:0004516 nicotinate phosphoribosyltransferase activity
• GO:0016740 transferase activity
• GO:0016763 pentosyltransferase activity
• GO:0016874 ligase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0009435 NAD biosynthetic process
• GO:0019363 pyridine nucleotide biosynthetic process

External links

• PDB: RCSB:2i14, PDBe:2i14, PDBj:2i14
• PDBsum: 2i14
• UniProt: Q8TZS9