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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 2nz4

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 2.50
System mass 244.40 kDa
Deposition year 2006
Molecule type RNA/Protein
# RNA entities 1
Organism Bacillus
RCSB PDB Entry 2nz4
Reference Cochrane Jesse C., Lipchock Sarah V., Strobel Scott A.. 2007. Structural Investigation of the GlmS Ribozyme Bound to Its Catalytic Cofactor Chemistry & Biology
Equivalence Class NR_all_17906.2
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 . / 5001
Chain M / P
Non-redundant True
Interacting RNA chains A/E, B/P
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/E: ribozyme, B/P: ribozyme
RNA family global ribozyme
Volume 391.36 Å3
Hydrophobicity 0.131
Hydrophilicity 2.157
Buriedness 0.752
Don/acc character 0.527
SiteScore 1.186
D Score 0.688
Kd

Compound GLP
Residue . / 5002
Chain R / F
Non-redundant True
Interacting RNA chains C/F, D/Q
RNA environment detailled ion
RNA environment global RNA
RNA family chains C/F: ribozyme, D/Q: ribozyme
RNA family global ribozyme
Volume 579.33 Å3
Hydrophobicity 0.079
Hydrophilicity 1.998
Buriedness 0.776
Don/acc character 0.703
SiteScore 1.202
D Score 0.755
Kd

Compound GLP
Residue . / 5003
Chain W / G
Non-redundant True
Interacting RNA chains F/R, E/G
RNA environment detailled ion
RNA environment global RNA
RNA family chains E/G: ribozyme, F/R: ribozyme
RNA family global ribozyme
Volume 384.50 Å3
Hydrophobicity 0.102
Hydrophilicity 1.843
Buriedness 0.755
Don/acc character 0.514
SiteScore 1.188
D Score 0.793
Kd

Compound GLP
Residue . / 5004
Chain BA / H
Non-redundant True
Interacting RNA chains G/H, H/S
RNA environment detailled ion
RNA environment global RNA
RNA family chains G/H: ribozyme, H/S: ribozyme
RNA family global ribozyme
Volume 373.87 Å3
Hydrophobicity 0.136
Hydrophilicity 1.938
Buriedness 0.750
Don/acc character 0.597
SiteScore 1.185
D Score 0.758
Kd