Structure of PDB 3roz Chain A Binding Site BS01

Receptor Information
>3roz Chain A (length=233) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVKYLSQEEAQAVDQELFNEYQFSVDQLMELAGLSCATAIAKAYPPTSMS
KSPPTVLVICGPGNNGGDGLVCARHLKLFGYQPTIYYPKRPNKPLFTGLV
TQCQKMDIPFLGEMPPEPMMVDELYELVVDAIFGFSFKGDVREPFHSILS
VLSGLTVPIASIDIPSGWDVEKGNPSGIQPDLLISLTAPKKSATHFTGRY
HYLGGRFVPPALEKKYQLNLPSYPDTECVYRLQ
Ligand information
Ligand IDNCA
InChIInChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
InChIKeyDFPAKSUCGFBDDF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(cnc1)C(=O)N
CACTVS 3.341NC(=O)c1cccnc1
ACDLabs 10.04O=C(N)c1cccnc1
FormulaC6 H6 N2 O
NameNICOTINAMIDE
ChEMBLCHEMBL1140
DrugBankDB02701
ZINCZINC000000005878
PDB chain3roz Chain A Residue 266 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3roz Identification of unknown protein function using metabolite cocktail screening.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		D39 L53 M54 A57 D93 T212
Binding residue
(residue number reindexed from 1)		D14 L28 M29 A32 D68 T187
Annotation score1
Enzymatic activity
Enzyme Commision number 5.1.99.6: NAD(P)H-hydrate epimerase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016853 isomerase activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
GO:0052856 NAD(P)HX epimerase activity
Biological Process
GO:0002040 sprouting angiogenesis
GO:0006869 lipid transport
GO:0010874 regulation of cholesterol efflux
GO:0016525 negative regulation of angiogenesis
GO:0031580 membrane raft distribution
GO:0046496 nicotinamide nucleotide metabolic process
GO:0110051 metabolite repair
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005634 nucleus
GO:0005739 mitochondrion
GO:0005829 cytosol
GO:0005929 cilium
GO:0044297 cell body

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3roz, PDBe:3roz, PDBj:3roz
PDBsum3roz
PubMed22940582
UniProtQ8K4Z3|NNRE_MOUSE NAD(P)H-hydrate epimerase (Gene Name=Naxe)

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