Structure of PDB 3rta Chain A

Receptor sequence

>3rtaA (length=489) Species: 243274 (Thermotoga maritima MSB8)

MKEIDELTIKEYGVDSRILMERAGISVVLAMEEELGNLSDYRFLVLCGGG
NNGGDGFVVARNLLGVVKDVLVVFLGKKKTPDCEYNYGLYKKFGGKVVEQ
FEPSILNEFDVVVDAIFGTGLRGEITGEYAEIINLVNKSGKVVVSVDVPS
GIDSNTGKVLRTAVKADLTVTFGVPKIGHILFPGRDLTGKLKVANIGHPV
HLINSINRYVITREMVRSLLPERPRDSHKGTYGKVLIIAGSRLYSGAPVL
SGMGSLKVGTGLVKLAVPFPQNLIATSRFPELISVPIDTEKGFFSLQNLQ
ECLELSKDVDVVAIGPGLGNNEHVREFVNEFLKTLEKPAVIDADAINVLD
TSVLKERKSPAVLTPHPGEMARLVKKTVGDVKYNYELAEEFAKENDCVLV
LKSATTIVTDGEKTLFNITGNTGLSKGGSGDVLTGMIAGFIAQGLSPLEA
STVSVYLHGFAAELFEQDERGLTASELLRLIPEAIRRLK

3D structure

• PDB: 3rta Identification of unknown protein function using metabolite cocktail screening.
• Chain: A
• Resolution: 1.95 Å

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.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	peptide	A	R22 S26 A30 V193 A194 N195	R22 S26 A30 V193 A194 N195
BS02	ACO	A	D5 M20 G50 N51 N52 D55 F117 G118 T119 G120 L121 R122 G123 D147	D5 M20 G50 N51 N52 D55 F117 G118 T119 G120 L121 R122 G123 D147
BS03	ACO	A	H366 P367 G368 R372 V378 K382	H366 P367 G368 R372 V378 K382

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