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HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4w29

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 3.80
System mass 4630.82 kDa
Deposition year 2014
Molecule type RNA/Protein
# RNA entities 1
Organism Thermus
RCSB PDB Entry 4w29
Reference Zhou Jie, Lancaster Laura, Donohue John Paul, Noller Harry F.. 2014. How the ribosome hands the A-site tRNA to the P site during EF-G–catalyzed translocation Science

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 FUA
Residue . / 702
Chain TD / AY
Non-redundant True
Interacting RNA chains HB/BA
RNA environment detailled protein, other
RNA environment global RNA/Other
RNA family chains HB/BA: rRNA
RNA family global rRNA
Volume 214.38 Å3
Hydrophobicity 1.357
Hydrophilicity 0.998
Buriedness 0.815
Don/acc character 1.015
SiteScore 0.903
D Score 0.867
Kd

Compound FUA
Residue . / 702
Chain AE / CY
Non-redundant True
Interacting RNA chains QD/DA
RNA environment detailled protein, other
RNA environment global RNA/Other
RNA family chains QD/DA: rRNA
RNA family global rRNA
Volume 204.43 Å3
Hydrophobicity 0.952
Hydrophilicity 0.918
Buriedness 0.776
Don/acc character 0.964
SiteScore 0.866
D Score 0.838
Kd

Compound NMY
Residue . / 1601
Chain UD / AA
Non-redundant True
Interacting RNA chains U/AA
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains U/AA: rRNA
RNA family global rRNA
Volume 170.81 Å3
Hydrophobicity 0.348
Hydrophilicity 0.668
Buriedness 0.707
Don/acc character 3.181
SiteScore 0.609
D Score 0.546
Kd

Compound NMY
Residue . / 2902
Chain WD / BA
Non-redundant True
Interacting RNA chains HB/BA, U/AA
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains U/AA: rRNA, HB/BA: rRNA
RNA family global rRNA
Volume 170.81 Å3
Hydrophobicity 0.457
Hydrophilicity 0.804
Buriedness 0.688
Don/acc character 1.261
SiteScore 0.800
D Score 0.592
Kd

Compound NMY
Residue . / 2903
Chain XD / BA
Non-redundant True
Interacting RNA chains HB/BA
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains HB/BA: rRNA
RNA family global rRNA
Volume 62.77 Å3
Hydrophobicity 0.032
Hydrophilicity 0.896
Buriedness 0.564
Don/acc character 4.417
SiteScore 0.609
D Score 0.372
Kd

Compound NMY
Residue . / 2904
Chain YD / BA
Non-redundant True
Interacting RNA chains HB/BA
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains HB/BA: rRNA
RNA family global rRNA
Volume 588.93 Å3
Hydrophobicity 0.271
Hydrophilicity 1.104
Buriedness 0.802
Don/acc character 2.343
SiteScore 1.220
D Score 1.061
Kd

Compound NMY
Residue . / 1601
Chain CE / CA
Non-redundant True
Interacting RNA chains DC/CA
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains DC/CA: rRNA
RNA family global rRNA
Volume 421.89 Å3
Hydrophobicity 0.176
Hydrophilicity 0.812
Buriedness 0.657
Don/acc character 1.321
SiteScore 0.960
D Score 0.996
Kd

Compound NMY
Residue . / 2901
Chain DE / DA
Non-redundant True
Interacting RNA chains QD/DA
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains QD/DA: rRNA
RNA family global rRNA
Volume 196.88 Å3
Hydrophobicity 0.111
Hydrophilicity 0.933
Buriedness 0.670
Don/acc character 1.919
SiteScore 0.827
D Score 0.621
Kd