Structure of PDB 3egi Chain B Binding Site BS01

Receptor Information
>3egi Chain B (length=192) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLGSRLFSRFDDGIKLDREGWFSVTPEKIAEHIAGRVSQSFKCDVVVDAF
CGVGGNTIQFALTGMRVIAIDIDPVKIALARNNAEVYGIADKIEFICGDF
LLLASFLKADVVFLSPPWAETFDIRTMMSPDGFEIFRLSKKITNNIVYFL
PRNADIDQVASLAGPGGQVEIEQNFLNNKLKTITAYFGDLIR
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain3egi Chain B Residue 4 [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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PDB3egi Structure analysis of the conserved methyltransferase domain of human trimethylguanosine synthase TGS1.
Resolution2.21 Å
Binding residue
(original residue number in PDB)		F698 D719 I720 K724 D747 F748 P765
Binding residue
(residue number reindexed from 1)		F50 D71 I72 K76 D99 F100 P117
Annotation score2
Enzymatic activity
Enzyme Commision number 2.1.1.-
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
Biological Process
GO:0001510 RNA methylation
GO:0036261 7-methylguanosine cap hypermethylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3egi, PDBe:3egi, PDBj:3egi
PDBsum3egi
PubMed19307714
UniProtQ96RS0|TGS1_HUMAN Trimethylguanosine synthase (Gene Name=TGS1)

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