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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 2gcv

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 2.10
System mass 49.37 kDa
Deposition year 2006
Molecule type RNA
# RNA entities 1
Organism Caldanaerobacter
RCSB PDB Entry 2gcv
Reference Klein Daniel J., Ferré-D'Amaré Adrian R.. 2006. Structural Basis of glmS Ribozyme Activation by Glucosamine-6-Phosphate Science
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 MES
Residue . / 501
Chain C / A
Non-redundant True
Interacting RNA chains A/A, B/B
RNA environment detailled other
RNA environment global RNA/Other
RNA family chains A/A: ribozyme, B/B: ribozyme
RNA family global ribozyme
Volume 288.12 Å3
Hydrophobicity 0.119
Hydrophilicity 1.421
Buriedness 0.770
Don/acc character 0.673
SiteScore 1.198
D Score 0.939
Kd

Compound MES
Residue . / 502
Chain H / B
Non-redundant False
Interacting RNA chains A/A, B/B
RNA environment detailled other
RNA environment global RNA/Other
RNA family chains A/A: ribozyme, B/B: ribozyme
RNA family global ribozyme
Volume 175.96 Å3
Hydrophobicity 0.000
Hydrophilicity 1.567
Buriedness 0.684
Don/acc character 0.894
SiteScore 1.063
D Score 0.740
Kd