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Structure of PDB 3eey Chain A Binding Site BS01

Receptor Information
>3eey Chain A (length=195) Species: 203119 (Acetivibrio thermocellus ATCC 27405) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LTIKNSLGQSHDYIKMFVKEGDTVVDATCGNGNDTAFLASLVGENGRVFG
FDIQDKAIANTTKKLTDLNLIDRVTLIKDGHQNMDKYIDCPVKAVMFNLG
YLPSGDHSISTRPETTIQALSKAMELLVTGGIITVVIYYGGDTGFEEKEK
VLEFLKGVDQKKFIVQRTDFINQANCPPILVCIEKISEGHHHHHH
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 chain3eey Chain A Residue 300 [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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PDB3eey Crystal Structure of Rrna-Methylase from Clostridium Thermocellum
Resolution2.2 Å
Binding residue
(original residue number in PDB)		T28 C29 N31 N33 D52 I53 Q54 G80 H81 N98 Y101 T111
Binding residue
(residue number reindexed from 1)		T28 C29 N31 N33 D52 I53 Q54 G80 H81 N98 Y101 T111
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
Biological Process
GO:0032259 methylation

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Molecular Function
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Biological Process
External links

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