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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4wt8

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 3.40
System mass 4460.70 kDa
Deposition year 2014
Molecule type RNA/Protein
# RNA entities 1
Organism Thermus
RCSB PDB Entry 4wt8
Reference Amunts Alexey, Fiedorczuk Karol, Truong Thao T., Chandler Josephine, Greenberg E. Peter, Ramakrishnan V.. 2015. Bactobolin A Binds to a Site on the 70S Ribosome Distinct from Previously Seen Antibiotics Journal of Molecular Biology
Equivalence Class NR_all_65795.87, NR_all_97519.80, NR_all_20721.12, NR_all_47349.1
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 3V6
Residue . / 3001
Chain PD / C1
Non-redundant True
Interacting RNA chains UA/C4, AC/C1
RNA environment detailled ion
RNA environment global RNA
RNA family chains AC/C1: rRNA, UA/C4: tRNA
RNA family global multiple
Volume 751.86 Å3
Hydrophobicity 0.318
Hydrophilicity 1.071
Buriedness 0.692
Don/acc character 2.430
SiteScore 1.146
D Score 1.006
Kd

Compound 3V6
Residue . / 3001
Chain RD / D1
Non-redundant True
Interacting RNA chains EC/D4, LD/D1
RNA environment detailled ion
RNA environment global RNA
RNA family chains EC/D4: tRNA, LD/D1: rRNA
RNA family global multiple
Volume 752.89 Å3
Hydrophobicity 0.250
Hydrophilicity 1.042
Buriedness 0.680
Don/acc character 2.157
SiteScore 1.138
D Score 1.008
Kd

Compound PAR
Residue . / 1601
Chain ND / Ab
Non-redundant True
Interacting RNA chains V/Ab
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains V/Ab: rRNA
RNA family global rRNA
Volume 27.10 Å3
Hydrophobicity 0.301
Hydrophilicity 0.788
Buriedness 0.556
Don/acc character 2.488
SiteScore 0.624
D Score 0.402
Kd

Compound PAR
Residue . / 1601
Chain OD / Bb
Non-redundant True
Interacting RNA chains X/Bb
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains X/Bb: rRNA
RNA family global rRNA
Volume 26.75 Å3
Hydrophobicity 0.302
Hydrophilicity 0.738
Buriedness 0.555
Don/acc character 3.692
SiteScore 0.633
D Score 0.418
Kd