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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 9imb

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 119.64 kDa
Deposition year 2024
Molecule type RNA/Protein
# RNA entities 1
Organism Homo
RCSB PDB Entry 9imb
Reference Zhong Fumei, Pu Tian, Hu Qian, Li Mingwei, Wang Lei, Wang Suman, Ruan Ke, Shi Yunyu, Sun Beicheng, Jiang Yiyang, Lv Mengqi. 2025. NSUN6 inhibitor discovery guided by its mRNA substrate bound crystal structure Structure
Equivalence Class NR_all_27653.3
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 SFG
Residue . / 501
Chain E / B
Non-redundant True
Interacting RNA chains B/D
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains B/D: unknown
RNA family global unknown
Volume 712.07 Å3
Hydrophobicity 0.671
Hydrophilicity 1.244
Buriedness 0.854
Don/acc character 0.898
SiteScore 1.105
D Score 1.047
Kd

Compound SFG
Residue . / 501
Chain F / A
Non-redundant True
Interacting RNA chains D/C
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains D/C: unknown
RNA family global unknown
Volume 621.86 Å3
Hydrophobicity 0.575
Hydrophilicity 1.345
Buriedness 0.848
Don/acc character 0.904
SiteScore 1.101
D Score 1.010
Kd