Structure of PDB 3tka Chain A Binding Site BS02

Receptor Information
>3tka Chain A (length=283) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTVLLDEAVNGLNIRPDGIYIDGTFGRGGHSRLILSQLGEEGRLLAIDRD
PQAIAVAKTIDDPRFSIIHGPFSALGEYVAERDLIGKIDGILLDLGVSSP
QLDDAERGFSFMRDGPLDMRMDPTRGQSAAEWLQTAEEADIAWVLKTYGE
ERFAKRIARAIVERNREQPMTRTKELAEVVAAATPVKHPATRTFQAVRIW
VNSELEEIEQALKSSLNVLAPGGRLSIISFHSLEDRIVKRFMRENSRGRQ
LRALGKLMPGEEEVAENPRARSSVLRIAERTNA
Ligand information
Ligand IDCTN
InChIInChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1
InChIKeyUHDGCWIWMRVCDJ-XVFCMESISA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC1=NC(=O)N(C=C1)[CH]2O[CH](CO)[CH](O)[CH]2O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
CACTVS 3.341NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O
ACDLabs 10.04O=C1N=C(N)C=CN1C2OC(C(O)C2O)CO
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O
FormulaC9 H13 N3 O5
Name4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE;
CYTIDINE
ChEMBLCHEMBL95606
DrugBankDB02097
ZINCZINC000002583632
PDB chain3tka Chain A Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3tka Crystal and solution structures of methyltransferase RsmH provide basis for methylation of C1402 in 16S rRNA.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		D147 W211
Binding residue
(residue number reindexed from 1)		D140 W200
Annotation score1
Enzymatic activity
Enzyme Commision number 2.1.1.199: 16S rRNA (cytosine(1402)-N(4))-methyltransferase.
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0042803 protein homodimerization activity
GO:0071424 rRNA (cytosine-N4-)-methyltransferase activity
Biological Process
GO:0006364 rRNA processing
GO:0032259 methylation
GO:0070475 rRNA base 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:3tka, PDBe:3tka, PDBj:3tka
PDBsum3tka
PubMed22561317
UniProtP60390|RSMH_ECOLI Ribosomal RNA small subunit methyltransferase H (Gene Name=rsmH)

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