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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 3v7e

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 2.80
System mass 102.63 kDa
Deposition year 2011
Molecule type RNA/Protein
# RNA entities 1
Organism Caldanaerobacter
RCSB PDB Entry 3v7e
Reference Baird Nathan J., Zhang Jinwei, Hamma Tomoko, Ferré-D'Amaré Adrian R.. 2012. YbxF and YlxQ are bacterial homologs of L7Ae and bind K-turns but not K-loops RNA
Equivalence Class NR_all_47433.3
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 SAM
Residue . / 913
Chain Q / C
Non-redundant True
Interacting RNA chains C/C
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains C/C: riboswitch
RNA family global riboswitch
Volume 708.30 Å3
Hydrophobicity 0.340
Hydrophilicity 1.085
Buriedness 0.781
Don/acc character 1.362
SiteScore 1.205
D Score 1.055
Kd

Compound SAM
Residue . / 407
Chain KA / D
Non-redundant False
Interacting RNA chains D/D
RNA environment detailled ion
RNA environment global RNA
RNA family chains D/D: riboswitch
RNA family global riboswitch
Volume 745.00 Å3
Hydrophobicity 0.427
Hydrophilicity 1.156
Buriedness 0.784
Don/acc character 1.261
SiteScore 1.207
D Score 1.034
Kd