Structure of PDB 3cjt Chain K Binding Site BS01

Receptor Information
>3cjt Chain K (length=250) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MWVYRLKGTLEALDPILPGLFDGGARGLWEREGEVWAFFPAPVDLPYEGV
WEEVGDEDWLEAWRRDLKPALAPPFVVLAPWHTWEGAEIPLVIEPGTGHA
ETTRLALKALARHLRPGDKVLDLGTGSGVLAIAAEKLGGKALGVDIDPMV
LPQAEANAKRNGVRPRFLEGSLEAALPFGPFDLLVANLYAELHAALAPRY
REALVPGGRALLTGILKDRAPLVREAMAGAGFRPLEEAAEGEWVLLAYGR
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 chain3cjt Chain K Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3cjt Multiple-Site Trimethylation of Ribosomal Protein L11 by the PrmA Methyltransferase.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		G128 T129 D149 I150 S175 N191 L196
Binding residue
(residue number reindexed from 1)		G124 T125 D145 I146 S171 N187 L192
Annotation score5
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3cjt, PDBe:3cjt, PDBj:3cjt
PDBsum3cjt
PubMed18611379
UniProtQ84BQ9|PRMA_THET8 Ribosomal protein L11 methyltransferase (Gene Name=prmA)

[Back to BioLiP]