Structure of PDB 2cx8 Chain A Binding Site BS01

Receptor Information
>2cx8 Chain A (length=225) Species: 274 (Thermus thermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HRAFSPGLTGVLPLRETRHLVEVLRARVGDRFTVFDGEREALAEVVDLGP
PLRYRVLEERRPEREVGVEVVLYVALLKGDKLAEVVRAATELGATRIQPL
VTRHSVPKEMGEGKLRRLRAVALEAAKQSGRVVVPEVLPPIPLKAVPQVA
QGLVAHVGATARVREVLDPEKPLALAVGPEGGFAEEEVALLEARGFTPVS
LGRRILRAETAALALLALCTAGEGR
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 chain2cx8 Chain A Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2cx8 Crystal structure of methyltransferase with ligand(SAH)
Resolution2.53 Å
Binding residue
(original residue number in PDB)		A158 H159 V160 V180 G181 P182 E183 G185 L204 L209 A214
Binding residue
(residue number reindexed from 1)		A155 H156 V157 V177 G178 P179 E180 G182 L201 L206 A211
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:2cx8, PDBe:2cx8, PDBj:2cx8
PDBsum2cx8
PubMed
UniProtQ5SKI6

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