Structure of PDB 3g8a Chain B Binding Site BS01

Receptor Information
>3g8a Chain B (length=239) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MFHGKHPGGLSERGRALLLEGGKALGLDLKPHLEAFSRLYALLQEAGEEE
VVVKHFLDSLTLLRLPLWQGPLRVLDLGTGAGFPGLPLKIVRPELELVLV
DATRKKVAFVERAIEVLGLKGARALWGRAEVLAREAGHREAYARAVARAV
APLCVLSELLLPFLEVGGAAVAMKGPRVEEELAPLPPALERLGGRLGEVL
ALQLPLSGEARHLVVLEKTAPTPPAYPRRPGVPERHPLC
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 chain3g8a Chain B Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3g8a Structural and functional studies of the Thermus thermophilus 16S rRNA methyltransferase RsmG
Resolution2.1 Å
Binding residue
(original residue number in PDB)		G88 T89 G90 F93 D111 A112 R158
Binding residue
(residue number reindexed from 1)		G78 T79 G80 F83 D101 A102 R148
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.170: 16S rRNA (guanine(527)-N(7))-methyltransferase.
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0008649 rRNA methyltransferase activity
GO:0070043 rRNA (guanine-N7-)-methyltransferase activity
Biological Process
GO:0006364 rRNA processing
GO:0031167 rRNA methylation
GO:0032259 methylation
GO:0070476 rRNA (guanine-N7)-methylation
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3g8a, PDBe:3g8a, PDBj:3g8a
PDBsum3g8a
PubMed19622680
UniProtQ9LCY2|RSMG_THET8 Ribosomal RNA small subunit methyltransferase G (Gene Name=rsmG)

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