Structure of PDB 4b17 Chain A Binding Site BS01

Receptor Information
>4b17 Chain A (length=357) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNKVVLLCRPGFEKECAAEITDKAGQREIFGFARVKENAGYVIYECYQPD
DGDKLIRELPFSSLIFARQWFVVGELLQHLPPEDRITPIVGMLQGVVEKG
GELRVEVADTNESKELLKFCRKFTVPLRAALRDAGVLANYETPKRPVVHV
FFIAPGCCYTGYSYSNNNSPFYMGIPRLKFPADAPSRSTLKLEEAFHVFI
PADEWDERLANGMWAVDLGACPGGWTYQLVKRNMWVYSVDNGPMAQSLMD
TGQVTWLREDGFKFRPTRSNISWMVCDMVEKPAKVAALMAQWLVNGWCRE
TIFNLKLPMKKRYEEVSHNLAYIQAQLDEHGINAQIQARQLYHDREEVTV
HVRRIWA
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 chain4b17 Chain A Residue 1358 [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]
PDB4b17 Crystal Structure of Rlmm, the 2'O-Ribose Methyltransferase for C2498 of Escherichia Coli 23S Rrna.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		S188 G219 C221 P222 G224 W225 D240 D260 G261 F262 D277 M278
Binding residue
(residue number reindexed from 1)		S188 G219 C221 P222 G224 W225 D240 D260 G261 F262 D277 M278
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.186: 23S rRNA (cytidine(2498)-2'-O)-methyltransferase.
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0008757 S-adenosylmethionine-dependent methyltransferase activity
GO:0070677 rRNA (cytosine-2'-O-)-methyltransferase activity
Biological Process
GO:0006364 rRNA processing
GO:0031167 rRNA 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:4b17, PDBe:4b17, PDBj:4b17
PDBsum4b17
PubMed22923526
UniProtP0ADR6|RLMM_ECOLI Ribosomal RNA large subunit methyltransferase M (Gene Name=rlmM)

[Back to BioLiP]