Structure of PDB 5twk Chain A Binding Site BS01

Receptor Information
>5twk Chain A (length=157) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHVKLQLVAVGTKMPDWVQTGFTEYLRRFPKDMPFELIEIPAGKRGKNAD
IKRILDKEGEQMLAAAGKNRIVTLDIPGKPWDTPQLAAELERWKLDGRDV
SLLIGGPEGLSPACKAAAEQSWSLSALTLPHPLVRVLVAESLYRAWSITT
NHPYHRE
Ligand information
Ligand IDSFG
InChIInChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
InChIKeyLMXOHSDXUQEUSF-YECHIGJVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CC(CCC(C(=O)O)N)N)O)O)N
CACTVS 3.370N[CH](CC[CH](N)C(O)=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
CACTVS 3.370N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
ACDLabs 12.01O=C(O)C(N)CCC(N)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
FormulaC15 H23 N7 O5
NameSINEFUNGIN;
ADENOSYL-ORNITHINE
ChEMBLCHEMBL1214186
DrugBankDB01910
ZINCZINC000004217451
PDB chain5twk Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5twk Small methyltransferase RlmH assembles a composite active site to methylate a ribosomal pseudouridine.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		L72 D73 I74 G103 G104 G107 L122 S123 T126 L127 V132
Binding residue
(residue number reindexed from 1)		L74 D75 I76 G105 G106 G109 L124 S125 T128 L129 V134
Annotation score3
Enzymatic activity
Enzyme Commision number 2.1.1.177: 23S rRNA (pseudouridine(1915)-N(3))-methyltransferase.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0008168 methyltransferase activity
GO:0042803 protein homodimerization activity
GO:0043022 ribosome binding
GO:0070038 rRNA (pseudouridine-N3-)-methyltransferase activity
Biological Process
GO:0006364 rRNA processing
GO:0031167 rRNA methylation
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:5twk, PDBe:5twk, PDBj:5twk
PDBsum5twk
PubMed28428565
UniProtP0A8I8|RLMH_ECOLI Ribosomal RNA large subunit methyltransferase H (Gene Name=rlmH)

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