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Structure of PDB 1ej0 Chain A Binding Site BS01

Receptor Information
>1ej0 Chain A (length=180) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLRSRAWFKLDEIQQSDKLFKPGMTVVDLGAAPGGWSQYVVTQIGGKGRI
IACDLLPMDPIVGVDFLQGDFRDELVMKALLERVGDSKVQVVMSDMAPNM
SGTPAVDIPRAMYLVELALEMCRDVLAPGGSFVVKVFQGEGFDEYLREIR
SLFTKVKVRKPDSSRARSREVYIVATGRKP
Ligand information
Ligand IDSAM
InChIInChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1
InChIKeyMEFKEPWMEQBLKI-FCKMPRQPSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[S@@+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
CACTVS 3.341C[S+](CC[CH](N)C([O-])=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
ACDLabs 10.04[O-]C(=O)C(N)CC[S+](C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
FormulaC15 H22 N6 O5 S
NameS-ADENOSYLMETHIONINE
ChEMBLCHEMBL1235831
DrugBank
ZINC
PDB chain1ej0 Chain A 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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PDB1ej0 RNA methylation under heat shock control.
Resolution1.5 Å
Binding residue
(original residue number in PDB)
A35 G59 A60 A61 P62 G64 W65 D83 L84 F100 D124
Binding residue
(residue number reindexed from 1)
A6 G30 A31 A32 P33 G35 W36 D54 L55 F71 D95
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.166: 23S rRNA (uridine(2552)-2'-O)-methyltransferase.
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0016436 rRNA (uridine) methyltransferase activity
Biological Process
GO:0001510 RNA methylation
GO:0006364 rRNA processing
GO:0032259 methylation

View graph for
Molecular Function

View graph for
Biological Process
External links
PDB RCSB:1ej0, PDBe:1ej0, PDBj:1ej0
PDBsum1ej0
PubMed10983982
UniProtP0C0R7|RLME_ECOLI Ribosomal RNA large subunit methyltransferase E (Gene Name=rlmE)

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