Structure of PDB 3rss Chain A Binding Site BS01

Receptor Information
>3rss Chain A (length=494) Species: 243274 (Thermotoga maritima MSB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHHHHMKEIDELTIKEYGVDSRILMERAGISVVLAMEEELGNLSDYRFLV
LCGGGNNGGDGFVVARNLLGVVKDVLVVFLGKKKTPDCEYNYGLYKKFGG
KVVEQFEPSILNEFDVVVDAIFGTGLRGEITGEYAEIINLVNKSGKVVVS
VDVPSGIDSNTGKVLRTAVKADLTVTFGVPKIGHILFPGRDLTGKLKVAN
IGHPVHLINSINRYVITREMVRSLLPERPRDSHKGTYGKVLIIAGSRLYS
GAPVLSGMGSLKVGTGLVKLAVPFPQNLIATSRFPELISVPIDTEKGFFS
LQNLQECLELSKDVDVVAIGPGLGNNEHVREFVNEFLKTLEKPAVIDADA
INVLDTSVLKERKSPAVLTPHPGEMARLVKKTVGDVKYNYELAEEFAKEN
DCVLVLKSATTIVTDGEKTLFNITGNTGLSKGGSGDVLTGMIAGFIAQGL
SPLEASTVSVYLHGFAAELFEQDERGLTASELLRLIPEAIRRLK
Ligand information
>3rss Chain B (length=8) Species: 469008 (Escherichia coli BL21(DE3)) [Search peptide sequence] [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
APAWLFEA
Receptor-Ligand Complex Structure
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PDB3rss Identification of unknown protein function using metabolite cocktail screening.
Resolution1.953 Å
Binding residue
(original residue number in PDB)		R22 A30 E33 V193 A194 N195
Binding residue
(residue number reindexed from 1)		R27 A35 E38 V198 A199 N200
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

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Molecular Function
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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)

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