Structure of PDB 5axn Chain B Binding Site BS03

Receptor Information
>5axn Chain B (length=239) Species: 2214 (Methanosarcina acetivorans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TREIYAEMRCIPPVVLRADGRNFKNTLSGLGFEKPYDKTFARAMADTAEL
FIKKSGLSPLFAYTFSDEISFLFTDLPFDGRVEKIDSVVASFLGSALTIK
LRLEEPIAFDSRLVALQKEEIPEYFHRRQLEAWRNFVASWGYYALRNEGM
GRNEAAKYLKRKKESEIHEMLFERGINLATLPSWQRRGVIISKEAREIQG
FNPVSGKEEKSLRRKITQNWEIPKFKSEKGIPFLEKLIN
Ligand information
Ligand IDGNP
InChIInChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1
InChIKeyUQABYHGXWYXDTK-UUOKFMHZSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
FormulaC10 H17 N6 O13 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
ChEMBLCHEMBL1233085
DrugBankDB02082
ZINCZINC000037868676
PDB chain5axn Chain B Residue 301 [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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PDB5axn Template-dependent nucleotide addition in the reverse (3'-5') direction by Thg1-like protein
Resolution2.703 Å
Binding residue
(original residue number in PDB)		D21 G22 R23 N24 K26 E35 P37 D39 F42 S68 D69
Binding residue
(residue number reindexed from 1)		D19 G20 R21 N22 K24 E33 P35 D37 F40 S66 D67
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0005525 GTP binding
GO:0008193 tRNA guanylyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0006400 tRNA modification
GO:0008033 tRNA processing
GO:0099116 tRNA 5'-end processing

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5axn, PDBe:5axn, PDBj:5axn
PDBsum5axn
PubMed27051866
UniProtA0A1C7D1G9

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