Structure of PDB 4h0n Chain C Binding Site BS01

Receptor Information
>4h0n Chain C (length=331) Species: 7108 (Spodoptera frugiperda) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHKILELYSGIGGMHCAWKESGLDGEIVAAVDINTVANSVYKHNFPETNL
LNRNIQQLTPQVIKKWNVDTILMSPPCQPFTRNGKYLDDNDPRTNSFLYL
IGILDQLDNVDYILMENVKGFENSTVRNLFIDKLKECNFIYQEFLLCPST
VGVPNSRLRYYCTARRNNLTWPFKRRDEIITRLPKDFGVPHSLESIIEED
VDEKFLVPEKMLRCAKVFDICYKTSKRSCCFTKAYTHYADGTGSIFTDKP
REVVQKCYAAAAQNEIGGEKFVELFKELKLRYFTPKEVLMIMCFPKSYNL
PTNISMKQCYRLLGNSVNVKVISELLKILFE
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 chain4h0n Chain C Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4h0n Functional and structural characterization of DNMT2 from Spodoptera frugiperda.
Resolution2.712 Å
Binding residue
(original residue number in PDB)		Y9 G11 D33 I34 N55 I56 S75 P77 S97 N316 S317
Binding residue
(residue number reindexed from 1)		Y8 G10 D32 I33 N54 I55 S74 P76 S96 N315 S316
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) C78 E117 R158 R160
Catalytic site (residue number reindexed from 1) C77 E116 R157 R159
Enzyme Commision number 2.1.1.204: tRNA (cytosine(38)-C(5))-methyltransferase.
2.1.1.37: DNA (cytosine-5-)-methyltransferase.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003723 RNA binding
GO:0003886 DNA (cytosine-5-)-methyltransferase activity
GO:0008168 methyltransferase activity
Biological Process
GO:0008033 tRNA processing
GO:0032259 methylation
Cellular Component
GO:0005634 nucleus
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:4h0n, PDBe:4h0n, PDBj:4h0n
PDBsum4h0n
PubMed23103599
UniProtA0A2H1VE33|TRDMT_SPOFR tRNA (cytosine(38)-C(5))-methyltransferase (Gene Name=TRDMT1)

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