Structure of PDB 8x41 Chain B Binding Site BS02

Receptor Information

>8x41 Chain B (length=269) Species: 70601 (Pyrococcus horikoshii OT3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

KMRDRLFFLLSKYGIRPRDSIGQHFLIIEDVIEKAIETANVNENDVILEV
GPGLGFLTDELAKRAKKVYTIEIDQKIIEILKKEYSWNNVKIIQGDAVRV
EWPKFNKVVSNIPYKISSPFTFKLLKTDFERAVVMYQLEFALRMVAKPGS
RNYSRLSLMAQALGNVEIVMKIGKGAFYPRPKVDSALVLIEPRKDKIVLN
ENLVKALFQHRRKTVPRALKDSIHMLGVSKDEIRGIINNVPHSNKRVFQL
YPEEVKDIEEYLKKHGIIS

Ligand information

Ligand ID

ADN

InChI

InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1

InChIKey

OIRDTQYFTABQOQ-KQYNXXCUSA-N

SMILES

Software	SMILES
CACTVS 3.341	Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O
ACDLabs 10.04	n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
CACTVS 3.341	Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N

Formula

C10 H13 N5 O4

Name

ADENOSINE

PDB chain

8x41 Chain B Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	8x41 Structural and functional characterization of archaeal DIMT1 unveils distinct protein dynamics essential for efficient catalysis.
Resolution	2.35 Å
Binding residue (original residue number in PDB)	S243 I244 H245 L247 I288
Binding residue (residue number reindexed from 1)	S222 I223 H224 L226 I267
Annotation score	4

External links

PDB	RCSB:8x41, PDBe:8x41, PDBj:8x41
PDBsum	8x41
PubMed	39146930
UniProt	O59487\|RSMA_PYRHO Probable ribosomal RNA small subunit methyltransferase A (Gene Name=rsmA)

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