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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 1uvn

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 3.00
System mass 233.62 kDa
Deposition year 2004
Molecule type RNA/Protein
# RNA entities 1
Organism N/A
RCSB PDB Entry 1uvn
Reference Salgado Paula S., Makeyev Eugene V., Butcher Sarah J., Bamford Dennis H., Stuart David I., Grimes Jonathan M.. 2004. The Structural Basis for RNA Specificity and Ca2+ Inhibition of an RNA-Dependent RNA Polymerase Structure
Equivalence Class NR_all_31949.3
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 GTP
Residue . / 1665
Chain G / A
Non-redundant True
Interacting RNA chains B/B
RNA environment detailled protein, ion, other
RNA environment global RNA/Other
RNA family chains B/B: synthetic construct
RNA family global synthetic construct
Volume 257.59 Å3
Hydrophobicity 1.133
Hydrophilicity 1.091
Buriedness 0.868
Don/acc character 1.224
SiteScore 0.924
D Score 0.862
Kd

Compound GTP
Residue . / 1666
Chain H / A
Non-redundant False
Interacting RNA chains B/B
RNA environment detailled protein, ion, other
RNA environment global RNA/Other
RNA family chains B/B: synthetic construct
RNA family global synthetic construct
Volume 651.01 Å3
Hydrophobicity 1.073
Hydrophilicity 1.188
Buriedness 0.858
Don/acc character 0.599
SiteScore 1.107
D Score 1.068
Kd

Compound GTP
Residue . / 1665
Chain L / C
Non-redundant False
Interacting RNA chains D/D
RNA environment detailled protein, ion, other
RNA environment global RNA/Other
RNA family chains D/D: synthetic construct
RNA family global synthetic construct
Volume 272.00 Å3
Hydrophobicity 1.056
Hydrophilicity 1.089
Buriedness 0.863
Don/acc character 0.992
SiteScore 0.945
D Score 0.891
Kd

Compound GTP
Residue . / 1666
Chain M / C
Non-redundant False
Interacting RNA chains D/D
RNA environment detailled protein, ion, other
RNA environment global RNA/Other
RNA family chains D/D: synthetic construct
RNA family global synthetic construct
Volume 658.22 Å3
Hydrophobicity 1.030
Hydrophilicity 1.175
Buriedness 0.858
Don/acc character 0.677
SiteScore 1.107
D Score 1.071
Kd

Compound GTP
Residue . / 1665
Chain Q / E
Non-redundant False
Interacting RNA chains F/F
RNA environment detailled protein, ion, other
RNA environment global RNA/Other
RNA family chains F/F: synthetic construct
RNA family global synthetic construct
Volume 298.75 Å3
Hydrophobicity 0.918
Hydrophilicity 1.033
Buriedness 0.854
Don/acc character 0.895
SiteScore 0.916
D Score 0.873
Kd

Compound GTP
Residue . / 1666
Chain R / E
Non-redundant False
Interacting RNA chains F/F
RNA environment detailled protein, ion, other
RNA environment global RNA/Other
RNA family chains F/F: synthetic construct
RNA family global synthetic construct
Volume 619.12 Å3
Hydrophobicity 1.147
Hydrophilicity 1.079
Buriedness 0.863
Don/acc character 0.548
SiteScore 1.110
D Score 1.106
Kd