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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 8h0s

Legend

Pocket colors by molecule type

 RNA

 Protein

 DNA

These colors appear when a pocket is selected (the structure fades to show the pocket surface). Colors from the molecule-type palette (RNA / protein / DNA).

System information

Experimental technique X-ray
Experimental resolution 2.90
System mass 101.37 kDa
Deposition year 2022
Molecule type RNA/Protein
# RNA entities 1
Organism Bacillus
RCSB PDB Entry 8h0s
Reference Cho Gyuhyeok, Lee Jangmin, Kim Jungwook. 2023. Identification of a novel 5-aminomethyl-2-thiouridine methyltransferase in tRNA modification Nucleic Acids Research
Equivalence Class NR_all_76339.3
BGSU version: 4.52

Pockets List

Legend

Cell colors for SiteScore and D Score:

 Favourable

 Intermediate

 Unfavourable

 Not available

ScoreThresholdMeaning
SiteScore< 0.8Non-drug binding site
SiteScore0.8 – 1.0Potential drug binding site
SiteScore> 1.0Promising binding site
D Score< 0.83Undruggable
D Score0.83 – 0.98Difficult
D Score> 0.98Druggable

Tick a pocket below to highlight it in the 3D structure above.

Compound SAM
Residue . / 301
Chain G / A
Non-redundant True
Interacting RNA chains E/X
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains E/X: unknown
RNA family global unknown
Volume 191.39 Å3
Hydrophobicity 1.113
Hydrophilicity 1.308
Buriedness 0.868
Don/acc character 0.500
SiteScore 1.114
D Score 1.035
Kd

Compound SAM
Residue . / 301
Chain I / C
Non-redundant True
Interacting RNA chains F/Y
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains F/Y: unknown
RNA family global unknown
Volume 191.74 Å3
Hydrophobicity 1.018
Hydrophilicity 1.142
Buriedness 0.816
Don/acc character 0.702
SiteScore 1.079
D Score 1.057
Kd