Structure of PDB 2nxe Chain B Binding Site BS01

Receptor Information
>2nxe Chain B (length=248) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MWVYRLKGTLEALDPILPGLFDGGARGLWEREGEVWAFFPAPVDLPYEGV
WEEVGAWRRDLKPALAPPFVVLAPWHTWEGAEIPLVIEPGMAFGTGHHET
TRLALKALARHLRPGDKVLDLGTGSGVLAIAAEKLGGKALGVDIDPMVLP
QAEANAKRNGVRPRFLEGSLEAALPFGPFDLLVANLYAELHAALAPRYRE
ALVPGGRALLTGILKDRAPLVREAMAGAGFRPLEEAAEGEWVLLAYGR
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 chain2nxe Chain B Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2nxe Recognition of ribosomal protein L11 by the protein trimethyltransferase PrmA.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		F99 T107 G128 T129 L134 D149 I150 S175 N191 L192 L196
Binding residue
(residue number reindexed from 1)		F93 T101 G122 T123 L128 D143 I144 S169 N185 L186 L190
Annotation score5
Binding affinityMOAD: Kd=5.5uM
Enzymatic activity
Enzyme Commision number 2.1.1.-
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0008168 methyltransferase activity
GO:0008276 protein methyltransferase activity
GO:0042054 histone methyltransferase activity
Biological Process
GO:0006338 chromatin remodeling
GO:0006479 protein methylation
GO:0032259 methylation
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2nxe, PDBe:2nxe, PDBj:2nxe
PDBsum2nxe
PubMed17215866
UniProtQ84BQ9|PRMA_THET8 Ribosomal protein L11 methyltransferase (Gene Name=prmA)

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