Structure of PDB 3rss Chain A

Receptor sequence
>3rssA (length=494) Species: 243274 (Thermotoga maritima MSB8) [Search protein sequence]
HHHHHMKEIDELTIKEYGVDSRILMERAGISVVLAMEEELGNLSDYRFLV
LCGGGNNGGDGFVVARNLLGVVKDVLVVFLGKKKTPDCEYNYGLYKKFGG
KVVEQFEPSILNEFDVVVDAIFGTGLRGEITGEYAEIINLVNKSGKVVVS
VDVPSGIDSNTGKVLRTAVKADLTVTFGVPKIGHILFPGRDLTGKLKVAN
IGHPVHLINSINRYVITREMVRSLLPERPRDSHKGTYGKVLIIAGSRLYS
GAPVLSGMGSLKVGTGLVKLAVPFPQNLIATSRFPELISVPIDTEKGFFS
LQNLQECLELSKDVDVVAIGPGLGNNEHVREFVNEFLKTLEKPAVIDADA
INVLDTSVLKERKSPAVLTPHPGEMARLVKKTVGDVKYNYELAEEFAKEN
DCVLVLKSATTIVTDGEKTLFNITGNTGLSKGGSGDVLTGMIAGFIAQGL
SPLEASTVSVYLHGFAAELFEQDERGLTASELLRLIPEAIRRLK
3D structure
PDB3rss Identification of unknown protein function using metabolite cocktail screening.
ChainA
Resolution1.953 Å
3D
structure
[Spin on]
[Spin off]
[Reset orientation]

[High quality]
[Low quality]

[White background]
[Black background]

[Download]
[Download structure with residue number starting from 1]
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 A30 E33 V193 A194 N195 R27 A35 E38 V198 A199 N200
BS02 NAP A G50 N51 N52 D55 F117 G118 T119 G120 L121 R122 G123 E124 Y129 D147 G55 N56 N57 D60 F122 G123 T124 G125 L126 R127 G128 E129 Y134 D152 MOAD: Kd=6uM
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3rss, PDBe:3rss, PDBj:3rss
PDBsum3rss
PubMed22940582
UniProtQ9X024|NNR_THEMA Bifunctional NAD(P)H-hydrate repair enzyme Nnr (Gene Name=nnr)

[Back to BioLiP]