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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 7xpl

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 2.21
System mass 167.58 kDa
Deposition year 2022
Molecule type RNA/Protein
# RNA entities 1
Organism Saccharolobus
RCSB PDB Entry 7xpl
Reference Wang Jiayin, Yang Zuxiao, Ye Keqiong. 2022. Methylation guide RNAs without box C/D motifs RNA
Equivalence Class NR_all_64498.1
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 SAH
Residue . / 301
Chain I / E
Non-redundant True
Interacting RNA chains G/I, E/G
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains E/G: unknown, G/I: unknown
RNA family global unknown
Volume 263.42 Å3
Hydrophobicity 0.907
Hydrophilicity 1.396
Buriedness 0.959
Don/acc character 0.843
SiteScore 1.175
D Score 1.060
Kd

Compound SAH
Residue . / 301
Chain J / F
Non-redundant True
Interacting RNA chains F/H, H/J
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains F/H: unknown, H/J: unknown
RNA family global unknown
Volume 324.14 Å3
Hydrophobicity 0.727
Hydrophilicity 1.385
Buriedness 0.934
Don/acc character 0.760
SiteScore 1.158
D Score 1.049
Kd