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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 5zq0

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 2.00
System mass 54.26 kDa
Deposition year 2018
Molecule type RNA/Protein
# RNA entities 1
Organism Streptococcus
RCSB PDB Entry 5zq0
Reference Jiang Yiyang, Yu Hailong, Li Fudong, Cheng Lin, Zhu Lingru, Shi Yunyu, Gong Qingguo. 2018. Unveiling the structural features that determine the dual methyltransferase activities of Streptococcus pneumoniae RlmCD PLOS Pathogens
Equivalence Class NR_all_00121.1
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 . / 501
Chain C / A
Non-redundant True
Interacting RNA chains B/B
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains B/B: unknown
RNA family global unknown
Volume 414.34 Å3
Hydrophobicity 0.652
Hydrophilicity 1.161
Buriedness 0.842
Don/acc character 0.824
SiteScore 1.096
D Score 1.067
Kd