HARIBOSS logo

HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4y4o

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 2.30
System mass 4426.44 kDa
Deposition year 2015
Molecule type RNA/Protein
# RNA entities 1
Organism Thermus
RCSB PDB Entry 4y4o
Reference Polikanov Yury S, Melnikov Sergey V, Söll Dieter, Steitz Thomas A. 2015. Structural insights into the role of rRNA modifications in protein synthesis and ribosome assembly Nature Structural & Molecular Biology
Equivalence Class NR_all_42622.80, NR_all_97519.80
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 ARG
Residue . / 230
Chain PTA / 1B
Non-redundant True
Interacting RNA chains B/1B
RNA environment detailled ion
RNA environment global RNA
RNA family chains B/1B: rRNA
RNA family global rRNA
Volume 192.08 Å3
Hydrophobicity 0.018
Hydrophilicity 2.048
Buriedness 0.608
Don/acc character 0.740
SiteScore 1.052
D Score 0.589
Kd

Compound ARG
Residue . / 311
Chain VUA / 1F
Non-redundant True
Interacting RNA chains A/1A
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains A/1A: rRNA
RNA family global rRNA
Volume 490.49 Å3
Hydrophobicity 0.037
Hydrophilicity 2.439
Buriedness 0.733
Don/acc character 0.348
SiteScore 1.023
D Score 0.585
Kd