Structure of PDB 8tfz Chain B Binding Site BS01

Receptor Information
>8tfz Chain B (length=177) Species: 70601 (Pyrococcus horikoshii OT3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SRFKVSKLMAYILAHSPWEFGLEPDEEGFVSIEELVNAVRKVYPWVTEEY
IREIVERDEKGRYEIRGNKIRARYGHSYPVILRHEEDKESKVLYHGTVRR
NLKGIMREGIKPGKRQYVHLSINYEDAYNTGMRHGEDVVVLIIDAECLRN
KGYKILKAGKKVRIVKHVPVDCISGIL
Ligand information
Ligand IDNAD
InChIInChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChIKeyBAWFJGJZGIEFAR-NNYOXOHSSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P]([O-])(=O)O[P@](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N
CACTVS 3.341NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
OpenEye OEToolkits 1.5.0c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N
FormulaC21 H27 N7 O14 P2
NameNICOTINAMIDE-ADENINE-DINUCLEOTIDE
ChEMBLCHEMBL1234613
DrugBankDB14128
ZINC
PDB chain8tfz Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8tfz Structural basis for Tpt1-catalyzed 2'-PO 4 transfer from RNA and NADP(H) to NAD.
Resolution2.06 Å
Binding residue
(original residue number in PDB)		Y74 H95 G96 T97 G104 I105 E108 I110 K111 R115 H119 L120 T130 R133 H134 V162
Binding residue
(residue number reindexed from 1)		Y74 H95 G96 T97 G104 I105 E108 I110 K111 R115 H119 L120 T130 R133 H134 V162
Annotation score4
Enzymatic activity
Enzyme Commision number 2.7.1.-
Gene Ontology
Molecular Function
GO:0000215 tRNA 2'-phosphotransferase activity
GO:0003950 NAD+-protein poly-ADP-ribosyltransferase activity
GO:0016740 transferase activity
GO:0016772 transferase activity, transferring phosphorus-containing groups
Biological Process
GO:0006388 tRNA splicing, via endonucleolytic cleavage and ligation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8tfz, PDBe:8tfz, PDBj:8tfz
PDBsum8tfz
PubMed37883434
UniProtO57899|KPTA_PYRHO Probable RNA 2'-phosphotransferase (Gene Name=kptA)

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