Structure of PDB 5axl Chain B Binding Site BS01

Receptor Information
>5axl Chain B (length=221) Species: 2214 (Methanosarcina acetivorans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TREIYAEMRCIPPVVLRADGRNFKNTLSGLGFEKPYDKTFARAMADTAEL
FIKKSGLSPLFAYTFSDEISFLFTDLPFDGRVEKIDSVVASFLGSALTIK
LRLEEPIAFDSRLVALQKEEIPEYFHRRQLEAWRNFVASWGYYALRNEGM
GRNEAAKYLKRKKESEIHEMLFERGINLATLPSWQRRGVIISKEARKITQ
NWEIPKFKSEKGIPFLEKLIN
Ligand information
Ligand IDGTP
InChIInChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyXKMLYUALXHKNFT-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
FormulaC10 H16 N5 O14 P3
NameGUANOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL1233147
DrugBankDB04137
ZINCZINC000060094177
PDB chain5axl Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5axl Template-dependent nucleotide addition in the reverse (3'-5') direction by Thg1-like protein
Resolution2.998 Å
Binding residue
(original residue number in PDB)		D21 G22 R23 N24 P37 F42 D69
Binding residue
(residue number reindexed from 1)		D19 G20 R21 N22 P35 F40 D67
Annotation score4
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:5axl, PDBe:5axl, PDBj:5axl
PDBsum5axl
PubMed27051866
UniProtA0A1C7D1G9

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