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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 9gmt

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 Electron Microscopy
Experimental resolution 1.93
System mass 196.91 kDa
Deposition year 2024
Molecule type RNA/Protein
# RNA entities 1
Organism Mycobacterium
RCSB PDB Entry 9gmt
Reference Griesser Tizian, Wang Rui, Angona Irene Pachon, Rogenmoser Janis, Obrist Julia, Schneider Gisbert, Sander Peter. 2025. Selective inhibition of Mycobacterium tuberculosis GpsI unveils a novel strategy to target the RNA metabolism Nucleic Acids Research
Equivalence Class NR_all_78432.2
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 A1IM2
Residue . / 601
Chain E / A
Non-redundant True
Interacting RNA chains D/E
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains D/E: unknown
RNA family global unknown
Volume 400.28 Å3
Hydrophobicity 0.297
Hydrophilicity 1.172
Buriedness 0.730
Don/acc character 0.810
SiteScore 1.021
D Score 0.996
Kd

Compound A1IM2
Residue . / 601
Chain F / B
Non-redundant True
Interacting RNA chains D/E
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains D/E: unknown
RNA family global unknown
Volume 536.45 Å3
Hydrophobicity 0.102
Hydrophilicity 1.462
Buriedness 0.754
Don/acc character 0.611
SiteScore 1.038
D Score 0.916
Kd

Compound A1IM2
Residue . / 601
Chain G / C
Non-redundant True
Interacting RNA chains D/E
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains D/E: unknown
RNA family global unknown
Volume 638.32 Å3
Hydrophobicity 0.347
Hydrophilicity 1.108
Buriedness 0.722
Don/acc character 0.566
SiteScore 1.016
D Score 1.012
Kd