Structure of PDB 2r86 Chain A Binding Site BS02

Receptor Information

>2r86 Chain A (length=334) Species: 2261 (Pyrococcus furiosus)

MKVRIATYASHSALQILKGAKDEGFETIAFGSSKVKPLYTKYFPVADYFI
EEKYPEEELLNLNAVVVPTGSFVAHLGIELVENMKVPYFGNKRVLRWESD
RNLERKWLKKAGIRVPEVYEDPDDIEKPVIVKPHGAKGGKGYFLAKDPED
FWRKAEKFLGIKRKEDLKNIQIQEYVLGVPVYPHYFYSKVREELELMSID
RRYESNVDAIGRIPAKDQLEFDMDITYTVIGNIPIVLRESLLMDVIEAGE
RVVKAAEELMGGLWGPFCLEGVFTPDLEFVVFEISARIVAGTNIFVNGSP
YTWLRYDRPVSTGRRIAMEIREAIENDMLEKVLT

Ligand information

• Ligand ID: PO4
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
• InChIKey: NBIIXXVUZAFLBC-UHFFFAOYSA-K
• SMILES:
  CACTVS 3.341: [O-][P]([O-])([O-])=O
  ACDLabs 10.04: [O-]P([O-])([O-])=O
  OpenEye OEToolkits 1.5.0: [O-]P(=O)([O-])[O-]
• Formula: O4 P
• Name: PHOSPHATE ION
• DrugBank: DB14523
• PDB chain: 2r86 Chain A Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2r86 Crystal structure and function of 5-formaminoimidazole-4-carboxamide ribonucleotide synthetase from Methanocaldococcus jannaschii.
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): H11 R202 R287 V289
• Binding residue (residue number reindexed from 1): H11 R202 R287 V289
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 6.3.4.23: formate--phosphoribosylaminoimidazolecarboxamide ligase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0005524 ATP binding
• GO:0016874 ligase activity
• GO:0016879 ligase activity, forming carbon-nitrogen bonds
• GO:0046872 metal ion binding

Biological Process

• GO:0006164 purine nucleotide biosynthetic process
• GO:0006188 IMP biosynthetic process
• GO:0006189 'de novo' IMP biosynthetic process

External links

• PDB: RCSB:2r86, PDBe:2r86, PDBj:2r86
• PDBsum: 2r86
• PubMed: 18069798
• UniProt: Q8U0R7|PURP_PYRFU 5-formaminoimidazole-4-carboxamide-1-(beta)-D-ribofuranosyl 5'-monophosphate synthetase (Gene Name=purP)