HARIBOSS logo

HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 2h0w

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 2.40
System mass 49.37 kDa
Deposition year 2006
Molecule type RNA
# RNA entities 1
Organism Caldanaerobacter
RCSB PDB Entry 2h0w
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 . / 601
Chain G / 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 268.23 Å3
Hydrophobicity 0.288
Hydrophilicity 1.234
Buriedness 0.779
Don/acc character 0.758
SiteScore 1.204
D Score 1.005
Kd

Compound MES
Residue . / 602
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 204.09 Å3
Hydrophobicity 0.032
Hydrophilicity 1.542
Buriedness 0.689
Don/acc character 0.961
SiteScore 1.118
D Score 0.817
Kd