Structure of PDB 3axs Chain A Binding Site BS02

Receptor Information
>3axs Chain A (length=387) Species: 63363 (Aquifex aeolicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEIVQEGIAKIIVPEIPKTVSSDMPVFYNPRMRVNRDLAVLGLEYLCKKL
GRPVKVADPLSASGIRAIRFLLETSCVEKAYANDISSKAIEIMKENFKLN
NIPEDRYEIHGMEANFFLRKEWGFGFDYVDLDPFGTPVPFIESVALSMKR
GGILSLTATDTAPLSGTYPKTCMRRYMARPLRNEFKHEVGIRILIKKVIE
LAAQYDIAMIPIFAYSHLHYFKLFFVKERGVEKVDKLIEQFGYIQYCFNC
MNREVVTDLYKFKEKCPHCGSKFHIGGPLWIGKLWDEEFTNFLYEEAQKR
EEIEKETKRILKLIKEESQLQTVGFYVLSKLAEKVKLPAQPPIRIAVKFF
NGVRTHFVGDGFRTNLSFEEVMKKMEELKEKQKEFLE
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 chain3axs Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3axs Substrate tRNA recognition mechanism of a multisite-specific tRNA methyltransferase, Aquifex aeolicus Trm1, based on the X-ray crystal structure
Resolution2.162 Å
Binding residue
(original residue number in PDB)		R36 L60 A62 I65 R66 D84 I85 E113 A114 D132 F134
Binding residue
(residue number reindexed from 1)		R36 L60 A62 I65 R66 D84 I85 E113 A114 D132 F134
Annotation score3
Enzymatic activity
Enzyme Commision number 2.1.1.215: tRNA (guanine(26)-N(2)/guanine(27)-N(2))-dimethyltransferase.
Gene Ontology
Molecular Function
GO:0000049 tRNA binding
GO:0003723 RNA binding
GO:0008168 methyltransferase activity
GO:0016423 tRNA (guanine) methyltransferase activity
GO:0160103 tRNA (guanine(26)-N2/guanine(27)-N2)-dimethyltransferase activity
GO:0160104 tRNA (guanine(26)-N2)-dimethyltransferase activity
Biological Process
GO:0002940 tRNA N2-guanine methylation
GO:0006400 tRNA modification
GO:0008033 tRNA processing
GO:0030488 tRNA methylation
GO:0032259 methylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3axs, PDBe:3axs, PDBj:3axs
PDBsum3axs
PubMed21844194
UniProtO67010|TRM1_AQUAE tRNA (guanine(26)-N(2)/guanine(27)-N(2))-dimethyltransferase (Gene Name=trm1)

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