Structure of PDB 5o96 Chain B Binding Site BS01

Receptor Information
>5o96 Chain B (length=242) Species: 446 (Legionella pneumophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VRTIRIYQPGEYQPGQLLELSPEAGQHVGVVLRMEQGEQLTLFNGDNKEF
TASIERVKKKQVFVRIASVLEVNRESPLKIHLAQAISKGERMEMVMQKSA
ELGVACITPLITERCQVKIDKEKMAKKMHQWLNIIIGACEQCGRNQIPEL
RQPVYLDQFVREAKEHLKLILHPAFSKTWRDYPVQPPDVALIIGPEGGFS
DEEIRLTSGHGFLPLSLGPRVLRTETAAITALSVLQAAGGDL
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 chain5o96 Chain B Residue 501 [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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PDB5o96 Crystal structure of the Legionella pneumophila Lpg2936 in complex with the cofactor S-adenosyl-L-methionine reveals novel insights into the mechanism of RsmE family methyltransferases.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		L173 H174 P175 G196 E198 G199 G200 S218 L219 L224 A229
Binding residue
(residue number reindexed from 1)		L171 H172 P173 G194 E196 G197 G198 S216 L217 L222 A227
Annotation score5
Binding affinityMOAD: Ka=708000M^-1
Enzymatic activity
Enzyme Commision number 2.1.1.193: 16S rRNA (uracil(1498)-N(3))-methyltransferase.
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0070042 rRNA (uridine-N3-)-methyltransferase activity
Biological Process
GO:0006364 rRNA processing
GO:0032259 methylation
GO:0070475 rRNA base 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:5o96, PDBe:5o96, PDBj:5o96
PDBsum5o96
PubMed28940762
UniProtQ5ZRE6

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