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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 7mjv

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 2.24
System mass 57.87 kDa
Deposition year 2021
Molecule type RNA/Protein
# RNA entities 1
Organism Bacteroides
RCSB PDB Entry 7mjv
Reference Esakova Olga A., Grove Tyler L., Yennawar Neela H., Arcinas Arthur J., Wang Bo, Krebs Carsten, Almo Steven C., Booker Squire J.. 2021. Structural basis for tRNA methylthiolation by the radical SAM enzyme MiaB Nature
Equivalence Class NR_all_67601.1
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 SAM
Residue . / 503
Chain E / A
Non-redundant True
Interacting RNA chains B/E
RNA environment detailled protein, ion, other
RNA environment global RNA/Other
RNA family chains B/E: unknown
RNA family global unknown
Volume 211.29 Å3
Hydrophobicity 0.098
Hydrophilicity 2.619
Buriedness 0.969
Don/acc character 0.185
SiteScore 1.181
D Score 0.668
Kd