Structure of PDB 3ru3 Chain A Binding Site BS01

Receptor Information

>3ru3 Chain A (length=489) Species: 243274 (Thermotoga maritima MSB8)

MKEIDELTIKEYGVDSRILMERAGISVVLAMEEELGNLSDYRFLVLCGGG
NNGGDGFVVARNLLGVVKDVLVVFLGKKKTPDCEYNYGLYKKFGGKVVEQ
FEPSILNEFDVVVDAIFGTGLRGEITGEYAEIINLVNKSGKVVVSVDVPS
GIDSNTGKVLRTAVKADLTVTFGVPKIGHILFPGRDLTGKLKVANIGHPV
HLINSINRYVITREMVRSLLPERPRDSHKGTYGKVLIIAGSRLYSGAPVL
SGMGSLKVGTGLVKLAVPFPQNLIATSRFPELISVPIDTEKGFFSLQNLQ
ECLELSKDVDVVAIGPGLGNNEHVREFVNEFLKTLEKPAVIDADAINVLD
TSVLKERKSPAVLTPHPGEMARLVKKTVGDVKYNYELAEEFAKENDCVLV
LKSATTIVTDGEKTLFNITGNTGLSKGGSGDVLTGMIAGFIAQGLSPLEA
STVSVYLHGFAAELFEQDERGLTASELLRLIPEAIRRLK

Ligand information

>3ru3 Chain B (length=6) Species: 469008 (Escherichia coli BL21(DE3))

AWLFEA

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3ru3 Identification of unknown protein function using metabolite cocktail screening.
• Resolution: 2.605 Å
• Binding residue (original residue number in PDB): R22 A30 E33 V193 A194 N195
• Binding residue (residue number reindexed from 1): R22 A30 E33 V193 A194 N195

Enzymatic activity

• Enzyme Commision number: 4.2.1.136: ADP-dependent NAD(P)H-hydrate dehydratase.
  5.1.99.6: NAD(P)H-hydrate epimerase.

Gene Ontology

Molecular Function

• GO:0005524 ATP binding
• GO:0016829 lyase activity
• GO:0016836 hydro-lyase activity
• GO:0016853 isomerase activity
• GO:0046872 metal ion binding
• GO:0052855 ADP-dependent NAD(P)H-hydrate dehydratase activity
• GO:0052856 NAD(P)HX epimerase activity

Biological Process

• GO:0046496 nicotinamide nucleotide metabolic process
• GO:0110051 metabolite repair

External links

• PDB: RCSB:3ru3, PDBe:3ru3, PDBj:3ru3
• PDBsum: 3ru3
• PubMed: 22940582
• UniProt: Q9X024|NNR_THEMA Bifunctional NAD(P)H-hydrate repair enzyme Nnr (Gene Name=nnr)