Structure of PDB 5hjm Chain A Binding Site BS01

Receptor Information
>5hjm Chain A (length=349) Species: 272844 (Pyrococcus abyssi GE5) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHHHHHHLEVLFQGPHMSGVKVRREDAKKVLELLKSVGILDGKRKAIRDE
KYVIFPVTDTNIAKSLGLEVVDVELPMRPERQIYKNLEDLLPREIFKKLG
RLDIVGDIAIVSIPDEILSEREVIVSAIRKLYPKVKVIARRGFHSGLYRI
RELEVIWGENRLHTIHKENGVLIKVDLSKVFFNPRMKGERYRIAQLVNDG
ERILVPFAGVIPYPLVIARFKNVEVYAVEINEFAVKLAEENLELNRDRLK
GKIKIIHGDVFEVLPNLPNFDRVVSPTPKGVDALSLTLSKAEKFLHYYDF
VHESEIERFRERVLEECRRQGKECRVSVRKVSDYKPHVYKVCADVEILS
Ligand information
Ligand IDMTA
InChIInChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
InChIKeyWUUGFSXJNOTRMR-IOSLPCCCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CSCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
CACTVS 3.341CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
ACDLabs 10.04n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CSC)N
CACTVS 3.341CSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
FormulaC11 H15 N5 O3 S
Name5'-DEOXY-5'-METHYLTHIOADENOSINE
ChEMBLCHEMBL277041
DrugBankDB02282
ZINCZINC000004228245
PDB chain5hjm Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5hjm Crystal structures of the bifunctional tRNA methyltransferase Trm5a
Resolution1.762 Å
Binding residue
(original residue number in PDB)		R133 F165 F191 E213 I214 D243 V244 P262
Binding residue
(residue number reindexed from 1)		R149 F181 F207 E229 I230 D259 V260 P278
Annotation score3
Enzymatic activity
Enzyme Commision number 2.1.1.-
2.1.1.228: tRNA (guanine(37)-N(1))-methyltransferase.
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0008175 tRNA methyltransferase activity
GO:0016740 transferase activity
GO:0052906 tRNA (guanine(37)-N1)-methyltransferase activity
Biological Process
GO:0002939 tRNA N1-guanine methylation
GO:0008033 tRNA processing
GO:0030488 tRNA methylation
GO:0032259 methylation
Cellular Component
GO:0005737 cytoplasm

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Biological Process
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Cellular Component
External links
PDB RCSB:5hjm, PDBe:5hjm, PDBj:5hjm
PDBsum5hjm
PubMed27629654
UniProtQ9V2G1|TAW22_PYRAB tRNA (guanine(37)-N1)/4-demethylwyosine(37)-methyltransferase Taw22 (Gene Name=taw22)

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