Structure of PDB 8x44 Chain A Binding Site BS01

Receptor Information
>8x44 Chain A (length=268) Species: 70601 (Pyrococcus horikoshii OT3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRDRLFFLLSKYGIRPRDSIGQHFLIIEDVIEKAIETANVNENDVILEVG
PGLGFLTDELAKRAKKVYTIEIDQKIIEILKKEYSWNNVKIIQGDAVRVE
WPKFNKVVSNIPYKISSPFTFKLLKTDFERAVVMYQLEFALRMVAKPGSR
NYSRLSLMAQALGNVEIVMKIGKGAFYPRPKVDSALVLIEPRKDKIVLNE
NLVKALFQHRRKTVPRALKDSIHMLGVSKDEIRGIINNVPHSNKRVFQLY
PEEVKDIEEYLKKHGIIS
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 chain8x44 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8x44 Structural and functional characterization of archaeal DIMT1 unveils distinct protein dynamics essential for efficient catalysis.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		Q44 G72 G74 I92 E93 I94 G116 D117 A118 P134
Binding residue
(residue number reindexed from 1)		Q22 G50 G52 I70 E71 I72 G94 D95 A96 P112
Annotation score4
External links
PDB RCSB:8x44, PDBe:8x44, PDBj:8x44
PDBsum8x44
PubMed39146930
UniProtO59487|RSMA_PYRHO Probable ribosomal RNA small subunit methyltransferase A (Gene Name=rsmA)

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