Structure of PDB 2egv Chain A Binding Site BS01

Receptor Information
>2egv Chain A (length=229) Species: 63363 (Aquifex aeolicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MHVFYSEERRGNLLILREGEVKHFRVRRIEKDEEFGVIHEGKIYVCKVRR
EDKREISCEIVEELETKLPPKDITLYQSVTVDLKTMDTIVRQATELGVLT
FVPIISERSFQKEEAILKKTEKWKRIVIEAMKQSRRPIPMEIKKPVRLSD
LIPESEENIILDNFYEGVKPKDVNLEAKTYSVVVGPEGGFSKRESQILRE
KGFKSVLLEPYTLRTETAVVSIVSILMNF
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 chain2egv Chain A Residue 1300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2egv Crystal structure of rRNA methyltransferase with SAM ligand
Resolution1.45 Å
Binding residue
(original residue number in PDB)		L161 D162 N163 V184 G185 E187 G189 L207 L208 T212 L213 A218
Binding residue
(residue number reindexed from 1)		L161 D162 N163 V184 G185 E187 G189 L207 L208 T212 L213 A218
Annotation score5
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:2egv, PDBe:2egv, PDBj:2egv
PDBsum2egv
PubMed
UniProtO66552|RSME_AQUAE Ribosomal RNA small subunit methyltransferase E (Gene Name=rsmE)

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