Structure of PDB 2egw Chain B Binding Site BS01

Receptor Information
>2egw Chain B (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 IDSAH
InChIInChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
InChIKeyZJUKTBDSGOFHSH-WFMPWKQPSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N
CACTVS 3.341N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)C(O)=O
ACDLabs 10.04O=C(O)C(N)CCSCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N
FormulaC14 H20 N6 O5 S
NameS-ADENOSYL-L-HOMOCYSTEINE
ChEMBLCHEMBL418052
DrugBankDB01752
ZINCZINC000004228232
PDB chain2egw Chain B Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2egw Crystal structure of rRNA methyltransferase with SAH ligand
Resolution2.8 Å
Binding residue
(original residue number in PDB)		L161 D162 N163 F164 E187 G188 G189 L207 L208 L213 T215
Binding residue
(residue number reindexed from 1)		L161 D162 N163 F164 E187 G188 G189 L207 L208 L213 T215
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:2egw, PDBe:2egw, PDBj:2egw
PDBsum2egw
PubMed
UniProtO66552|RSME_AQUAE Ribosomal RNA small subunit methyltransferase E (Gene Name=rsmE)

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