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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 5gip

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 3.13
System mass 407.00 kDa
Deposition year 2016
Molecule type RNA/Protein
# RNA entities 1
Organism Saccharolobus
RCSB PDB Entry 5gip
Reference Yang Zuxiao, Lin Jinzhong, Ye Keqiong. 2016. Box C/D guide RNAs recognize a maximum of 10 nt of substrates Proceedings of the National Academy of Sciences
Equivalence Class NR_all_83671.4
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 SAH
Residue . / 301
Chain U / E
Non-redundant True
Interacting RNA chains G/G, I/I
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains G/G: unknown, I/I: unknown
RNA family global unknown
Volume 300.47 Å3
Hydrophobicity 1.351
Hydrophilicity 1.151
Buriedness 0.946
Don/acc character 0.667
SiteScore 1.166
D Score 1.133
Kd

Compound SAH
Residue . / 301
Chain V / F
Non-redundant False
Interacting RNA chains J/J, H/H
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains H/H: unknown, J/J: unknown
RNA family global unknown
Volume 307.67 Å3
Hydrophobicity 0.861
Hydrophilicity 1.253
Buriedness 0.946
Don/acc character 0.995
SiteScore 1.166
D Score 1.099
Kd

Compound SAH
Residue . / 301
Chain W / O
Non-redundant False
Interacting RNA chains Q/Q, S/S
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains Q/Q: unknown, S/S: unknown
RNA family global unknown
Volume 284.35 Å3
Hydrophobicity 1.019
Hydrophilicity 1.358
Buriedness 0.947
Don/acc character 0.512
SiteScore 1.167
D Score 1.065
Kd

Compound SAH
Residue . / 301
Chain X / P
Non-redundant False
Interacting RNA chains R/R, T/T
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains R/R: unknown, T/T: unknown
RNA family global unknown
Volume 268.23 Å3
Hydrophobicity 0.892
Hydrophilicity 1.327
Buriedness 0.955
Don/acc character 0.718
SiteScore 1.172
D Score 1.080
Kd