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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 3b4b

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 2.70
System mass 49.38 kDa
Deposition year 2007
Molecule type RNA
# RNA entities 1
Organism Caldanaerobacter
RCSB PDB Entry 3b4b
Reference Klein Daniel J., Been Michael D., Ferré-D'Amaré Adrian R.. 2007. Essential Role of an Active-Site Guanine in glmS Ribozyme Catalysis Journal of the American Chemical Society
Equivalence Class NR_all_83979.2
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 GLP
Residue . / 201
Chain C / A
Non-redundant False
Interacting RNA chains B/B, A/A
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/A: ribozyme, B/B: ribozyme
RNA family global ribozyme
Volume 657.53 Å3
Hydrophobicity 0.243
Hydrophilicity 1.454
Buriedness 0.787
Don/acc character 1.326
SiteScore 1.209
D Score 0.938
Kd