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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 1s0v

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 3.20
System mass 447.71 kDa
Deposition year 2004
Molecule type RNA/DNA/Protein
# RNA entities 1
Organism N/A
RCSB PDB Entry 1s0v
Reference Temiakov Dmitry, Patlan Vsevolod, Anikin Michael, McAllister William T, Yokoyama Shigeyuki, Vassylyev Dmitry G. 2004. Structural Basis for Substrate Selection by T7 RNA Polymerase Cell

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 APC
Residue . / 2000
Chain S / A
Non-redundant True
Interacting RNA chains B/F
RNA environment detailled DNA, protein, ion
RNA environment global RNA/DNA/Protein
RNA family chains B/F: unknown
RNA family global unknown
Volume 420.52 Å3
Hydrophobicity 0.449
Hydrophilicity 1.184
Buriedness 0.816
Don/acc character 0.689
SiteScore 1.079
D Score 1.044
Kd

Compound APC
Residue . / 2001
Chain V / B
Non-redundant True
Interacting RNA chains E/I
RNA environment detailled DNA, protein, ion
RNA environment global RNA/DNA/Protein
RNA family chains E/I: unknown
RNA family global unknown
Volume 415.03 Å3
Hydrophobicity 0.648
Hydrophilicity 1.072
Buriedness 0.824
Don/acc character 0.719
SiteScore 1.084
D Score 1.085
Kd

Compound APC
Residue . / 2002
Chain Y / C
Non-redundant True
Interacting RNA chains H/L
RNA environment detailled DNA, protein, ion
RNA environment global RNA/DNA/Protein
RNA family chains H/L: unknown
RNA family global unknown
Volume 547.77 Å3
Hydrophobicity 0.190
Hydrophilicity 1.311
Buriedness 0.793
Don/acc character 0.866
SiteScore 1.064
D Score 0.989
Kd

Compound APC
Residue . / 2003
Chain BA / D
Non-redundant True
Interacting RNA chains K/O
RNA environment detailled DNA, protein, ion
RNA environment global RNA/DNA/Protein
RNA family chains K/O: unknown
RNA family global unknown
Volume 449.33 Å3
Hydrophobicity 0.513
Hydrophilicity 1.217
Buriedness 0.808
Don/acc character 0.970
SiteScore 1.074
D Score 1.028
Kd