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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 3olb

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 2.41
System mass 281.11 kDa
Deposition year 2010
Molecule type RNA/Protein
# RNA entities 1
Organism N/A
RCSB PDB Entry 3olb
Reference Gong Peng, Peersen Olve B.. 2010. Structural basis for active site closure by the poliovirus RNA-dependent RNA polymerase Proceedings of the National Academy of Sciences
Equivalence Class NR_all_48488.2
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 DCT
Residue . / 4004
Chain R / A
Non-redundant True
Interacting RNA chains B/B, C/C
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains B/B: unknown, C/C: unknown
RNA family global unknown
Volume 277.14 Å3
Hydrophobicity 0.533
Hydrophilicity 1.226
Buriedness 0.858
Don/acc character 0.388
SiteScore 0.897
D Score 0.786
Kd

Compound DCT
Residue . / 4003
Chain V / E
Non-redundant False
Interacting RNA chains F/F, G/G
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains F/F: unknown, G/G: unknown
RNA family global unknown
Volume 333.05 Å3
Hydrophobicity 0.368
Hydrophilicity 1.292
Buriedness 0.857
Don/acc character 0.510
SiteScore 0.941
D Score 0.821
Kd

Compound DCT
Residue . / 4002
Chain BA / I
Non-redundant False
Interacting RNA chains J/J, K/K
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains J/J: unknown, K/K: unknown
RNA family global unknown
Volume 464.42 Å3
Hydrophobicity 0.200
Hydrophilicity 1.446
Buriedness 0.830
Don/acc character 0.891
SiteScore 0.951
D Score 0.790
Kd

Compound DCT
Residue . / 4001
Chain GA / M
Non-redundant False
Interacting RNA chains O/O, N/N
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains N/N: unknown, O/O: unknown
RNA family global unknown
Volume 318.65 Å3
Hydrophobicity 0.395
Hydrophilicity 1.351
Buriedness 0.839
Don/acc character 0.579
SiteScore 0.910
D Score 0.766
Kd