Structure of PDB 4cne Chain A Binding Site BS01

Receptor Information
>4cne Chain A (length=169) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DPALRALQNIRIVLVETSHTGNMGSVARAMKTMGLTNLWLVNPLVKPDSQ
AIALAAGASDVIGNAHIVDTLDEALAGCSLVVGTSARSRTLPWPMLDPRE
CGLKSVAEAANTPVALVFGRERVGLTNEELQKCHYHVAIAANPEYSSLNL
AMAVQVIAYEVRMAWLATQ
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 chain4cne Chain A Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4cne Characterization of Two Homologous 2'-O-Methyltransferases Showing Different Specificities for Their tRNA Substrates.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		T79 F113 G114 R115 R117 I134 S142 L143 L145 A148
Binding residue
(residue number reindexed from 1)		T84 F118 G119 R120 R122 I139 S147 L148 L150 A153
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.200: tRNA (cytidine(32)/uridine(32)-2'-O)-methyltransferase.
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0008168 methyltransferase activity
GO:0008173 RNA methyltransferase activity
GO:0042803 protein homodimerization activity
Biological Process
GO:0002128 tRNA nucleoside ribose methylation
GO:0006396 RNA processing
GO:0008033 tRNA processing
GO:0032259 methylation
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4cne, PDBe:4cne, PDBj:4cne
PDBsum4cne
PubMed24951554
UniProtP0AE01|TRMJ_ECOLI tRNA (cytidine/uridine-2'-O-)-methyltransferase TrmJ (Gene Name=trmJ)

[Back to BioLiP]