Structure of PDB 3m6w Chain A Binding Site BS01

Receptor Information
>3m6w Chain A (length=460) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLPKAFLSRMAELLGEEFPAFLKALTEGKRTYGLRVNTLKLPPEAFQRIS
PWPLRPIPWCQEGFYYPEEARPGPHPFFYAGLYYIQEPSAQAVGVLLDPK
PGERVLDLAAAPGGKTTHLAARMGGKGLLLANEVDGKRVRGLLENVERWG
APLAVTQAPPRALAEAFGTYFHRVLLDAPCSGEGMFRKDREAARHWGPSA
PKRMAEVQKALLAQASRLLGPGGVLVYSTCTFAPEENEGVVAHFLKAHPE
FRLEDARLHPLFAPGVPEWGEGNPELLKTARLWPHRLEGEGHFLARFRKE
GGAWSTPRLERPSPLSQEALRAFRGFLEEAGLTLEGPVLDRAGHLYLLPE
GLPTLLGLKAPAPGLYLGKVQKGRFLPARALALAFGATLPWPEGLPRLAL
TPEDPRALAFATGEGVAWEGEDHPLALVVLKTAAGEFPLDFGKAKRGVLR
PVGVGLRSHH
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 chain3m6w Chain A Residue 465 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3m6w Multi-site-specific 16S rRNA methyltransferase RsmF from Thermus thermophilus.
Resolution1.3 Å
Binding residue
(original residue number in PDB)		A109 A110 A111 P112 G114 K115 E133 V134 R138 P160 D177 P179 L211
Binding residue
(residue number reindexed from 1)		A109 A110 A111 P112 G114 K115 E133 V134 R138 P160 D177 P179 L211
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.-
2.1.1.178: 16S rRNA (cytosine(1407)-C(5))-methyltransferase.
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0008168 methyltransferase activity
GO:0008173 RNA methyltransferase activity
Biological Process
GO:0001510 RNA methylation
GO:0006364 rRNA processing
GO:0032259 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:3m6w, PDBe:3m6w, PDBj:3m6w
PDBsum3m6w
PubMed20558545
UniProtQ5SII2|RSMF_THET8 Ribosomal RNA small subunit methyltransferase F (Gene Name=rsmF)

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