Structure of PDB 4dcm Chain A Binding Site BS01

Receptor Information
>4dcm Chain A (length=360) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRSLTLQRFPATDDVNPLQAWEAADEYLLQQLDDTEIRGPVLILNDAFGA
LSCALAEHKPYSIGDSYISELATRENLRLNGIDESSVKFLDSTADYPQQP
GVVLIKVPKTLALLEQQLRALRKVVTSDTRIIAGAKARDIHTSTLELFEK
VLGPTTTTLAWKKARLINCTFNEPQLADAPQTVSWKLEGTDWTIHNHANV
FSRTGLDIGARFFMQHLPENLEGEIVDLGCGNGVIGLTLLDKNPQAKVVF
VDESPMAVASSRLNVETNMPEALDRCEFMINNALSGVEPFRFNAVLCNPP
FDNVAWEMFHHARRCLKINGELYIVANRHLDYFHKLKKIFGNCTTIATNN
KFVVLKAVKL
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 chain4dcm Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4dcm Structural insights into the function of 23S rRNA methyltransferase RlmG (m2G1835) from Escherichia coli.
Resolution2.297 Å
Binding residue
(original residue number in PDB)		F208 G236 C237 D259 E260 N289 A290 N305 M322
Binding residue
(residue number reindexed from 1)		F201 G229 C230 D252 E253 N282 A283 N298 M308
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.174: 23S rRNA (guanine(1835)-N(2))-methyltransferase.
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0008168 methyltransferase activity
GO:0008170 N-methyltransferase activity
GO:0008757 S-adenosylmethionine-dependent methyltransferase activity
GO:0008990 rRNA (guanine-N2-)-methyltransferase activity
GO:0052916 23S rRNA (guanine(1835)-N(2))-methyltransferase activity
Biological Process
GO:0006364 rRNA processing
GO:0031167 rRNA methylation
GO:0032259 methylation
GO:0043414 macromolecule methylation
GO:0070475 rRNA base methylation
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4dcm, PDBe:4dcm, PDBj:4dcm
PDBsum4dcm
PubMed22753782
UniProtP42596|RLMG_ECOLI Ribosomal RNA large subunit methyltransferase G (Gene Name=rlmG)

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