Structure of PDB 8x47 Chain A Binding Site BS01

Receptor Information

>8x47 Chain A (length=264) 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
ENLVKALFQHRRKTVPRALKDSIHSKDEIRGIINNVPHSNKRVFQLYPEE
VKDIEEYLKKHGII

Ligand information

Ligand ID

SAH

InChI

InChI=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

InChIKey

ZJUKTBDSGOFHSH-WFMPWKQPSA-N

SMILES

Software	SMILES
CACTVS 3.341	N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N
CACTVS 3.341	N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)C(O)=O
ACDLabs 10.04	O=C(O)C(N)CCSCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N

Formula

C14 H20 N6 O5 S

Name

S-ADENOSYL-L-HOMOCYSTEINE

PDB chain

8x47 Chain A Residue 301 [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	8x47 Structural and functional characterization of archaeal DIMT1 unveils distinct protein dynamics essential for efficient catalysis.
Resolution	2.8 Å
Binding residue (original residue number in PDB)	I42 G43 Q44 H45 F46 G72 G74 I92 E93 I94 D117 A118 P134
Binding residue (residue number reindexed from 1)	I21 G22 Q23 H24 F25 G51 G53 I71 E72 I73 D96 A97 P113
Annotation score	4

External links

PDB	RCSB:8x47, PDBe:8x47, PDBj:8x47
PDBsum	8x47
PubMed	39146930
UniProt	O59487\|RSMA_PYRHO Probable ribosomal RNA small subunit methyltransferase A (Gene Name=rsmA)

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