Structure of PDB 2zbr Chain A Binding Site BS01

Receptor Information
>2zbr Chain A (length=248) Species: 274 (Thermus thermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MWVYRLKGTLEALDPILPGLFDGGARGLWEREGEVWAFFPAPVDLPYEGV
WEEVGDEDWLEAWRRDLKPALAPPFVVLAPWHTWEGAEIPLVIEPGHHET
TRLALKALARHLRPGDKVLDLGTGSGVLAIAAEKLGGKALGVDIDPMVLP
QAEANAKRNGVRPRFLEGSLEAALPFGPFDLLVANLYAELHAALAPRYRE
ALVPGGRALLTGILKDRAPLVREAMAGAGFRPLEEAAEGEWVLLAYGR
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 chain2zbr 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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PDB2zbr Crystal structure of ribosomal protein L11 methyltransferase from Thermus thermophilus
Resolution1.9 Å
Binding residue
(original residue number in PDB)		T107 G128 L134 D149 I150 S175 N191
Binding residue
(residue number reindexed from 1)		T101 G122 L128 D143 I144 S169 N185
Annotation score3
Enzymatic activity
Enzyme Commision number 2.1.1.-
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0008168 methyltransferase activity
GO:0008276 protein methyltransferase activity
GO:0042054 histone methyltransferase activity
Biological Process
GO:0006338 chromatin remodeling
GO:0006479 protein methylation
GO:0032259 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:2zbr, PDBe:2zbr, PDBj:2zbr
PDBsum2zbr
PubMed
UniProtQ84BQ9|PRMA_THET8 Ribosomal protein L11 methyltransferase (Gene Name=prmA)

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