Structure of PDB 3tlj Chain A Binding Site BS01

Receptor Information
>3tlj Chain A (length=364) Species: 186497 (Pyrococcus furiosus DSM 3638) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKFLLTTAQGIEDIAKREVSLLLKKLGISFQIEEKPLGIEGRLLLEAEKA
YYVDEKGRKRELSISTYLNENSRLLHRVIIEIASEKFNGIEKDESEEALK
RIKDFVSSLPVEQFVKVSETFAVRSFRKGDHNITSIDIARTVGEAIFERL
SRFGTPLVNLDHPAVIFRAELIKDVFFLGIDTTGDSSLHKRPWRVYDHPA
HLKASIANAMIELAELDGGSVLDPMCGSGTILIELALRRYSGEIIGIEKY
RKHLIGAEMNALAAGVLDKIKFIQGDATQLSQYVDSVDFAISNLPYGSMI
PDLYMKFFNELAKVLEKRGVFITTEKKAIEEAIAENGFEIIHHRVIGHGG
LMVHLYVVKLEHHH
Ligand information
Ligand IDSAH
InChIInChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
InChIKeyZJUKTBDSGOFHSH-WFMPWKQPSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N
CACTVS 3.341N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)C(O)=O
ACDLabs 10.04O=C(O)C(N)CCSCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N
FormulaC14 H20 N6 O5 S
NameS-ADENOSYL-L-HOMOCYSTEINE
ChEMBLCHEMBL418052
DrugBankDB01752
ZINCZINC000004228232
PDB chain3tlj 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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PDB3tlj Crystal structures of the tRNA:m2G6 methyltransferase Trm14/TrmN from two domains of life.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		H198 H201 L202 M225 C226 G227 S228 T230 E248 K249 H253 D276 A277 N293
Binding residue
(residue number reindexed from 1)		H198 H201 L202 M225 C226 G227 S228 T230 E248 K249 H253 D276 A277 N293
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.256: tRNA (guanine(6)-N(2))-methyltransferase.
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0008168 methyltransferase activity
GO:0016423 tRNA (guanine) methyltransferase activity
GO:0016740 transferase activity
GO:0160117 tRNA (guanine(6)-N2)-methyltransferase activity
Biological Process
GO:0008033 tRNA processing
GO:0030488 tRNA 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:3tlj, PDBe:3tlj, PDBj:3tlj
PDBsum3tlj
PubMed22362751
UniProtQ8U248|TRM14_PYRFU tRNA (guanine(6)-N2)-methyltransferase (Gene Name=trm14)

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