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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 7dwh

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 3.10
System mass 76.81 kDa
Deposition year 2021
Molecule type RNA/Protein
# RNA entities 1
Organism N/A
RCSB PDB Entry 7dwh
Reference Jiang Hengyi, Gao Yanqing, Zhang Lei, Chen Dongrong, Gan Jianhua, Murchie Alastair I. H.. 2021. The identification and characterization of a selected SAM-dependent methyltransferase ribozyme that is present in natural sequences Nature Catalysis
Equivalence Class NR_all_56532.3
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 . / 102
Chain H / X
Non-redundant True
Interacting RNA chains E/X
RNA environment detailled ion
RNA environment global RNA
RNA family chains E/X: ribozyme
RNA family global ribozyme
Volume 251.76 Å3
Hydrophobicity 0.163
Hydrophilicity 0.869
Buriedness 0.638
Don/acc character 4.472
SiteScore 0.939
D Score 0.777
Kd

Compound SAM
Residue . / 102
Chain J / Y
Non-redundant True
Interacting RNA chains F/Y
RNA environment detailled ion
RNA environment global RNA
RNA family chains F/Y: ribozyme
RNA family global ribozyme
Volume 163.61 Å3
Hydrophobicity 0.337
Hydrophilicity 0.811
Buriedness 0.628
Don/acc character 3.372
SiteScore 0.848
D Score 0.668
Kd