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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4v57

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 3.50
System mass 4298.30 kDa
Deposition year 2007
Molecule type RNA/Protein
# RNA entities 1
Organism Escherichia
RCSB PDB Entry 4v57
Reference Borovinskaya Maria A., Shoji Shinichiro, Holton James M., Fredrick Kurt, Cate Jamie H. D.. 2007. A Steric Block in Translation Caused by the Antibiotic Spectinomycin ACS Chemical Biology
Equivalence Class NR_all_83717.187, NR_all_56726.172
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 NMY
Residue . / 1601
Chain AD / AA
Non-redundant False
Interacting RNA chains A/AA
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/AA: rRNA
RNA family global rRNA
Volume 157.09 Å3
Hydrophobicity 0.218
Hydrophilicity 0.937
Buriedness 0.652
Don/acc character 2.903
SiteScore 0.979
D Score 0.820
Kd

Compound NMY
Residue . / 3001
Chain KF / BB
Non-redundant False
Interacting RNA chains W/BB, A/AA
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/AA: rRNA, W/BB: rRNA
RNA family global rRNA
Volume 239.07 Å3
Hydrophobicity 0.184
Hydrophilicity 0.794
Buriedness 0.626
Don/acc character 2.139
SiteScore 0.957
D Score 0.781
Kd

Compound NMY
Residue . / 1601
Chain SJ / CA
Non-redundant True
Interacting RNA chains AB/CA
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains AB/CA: rRNA
RNA family global rRNA
Volume 177.67 Å3
Hydrophobicity 0.180
Hydrophilicity 0.976
Buriedness 0.665
Don/acc character 2.613
SiteScore 1.012
D Score 0.856
Kd

Compound NMY
Residue . / 3001
Chain BM / DB
Non-redundant True
Interacting RNA chains WB/DB, AB/CA
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains AB/CA: rRNA, WB/DB: rRNA
RNA family global rRNA
Volume 151.61 Å3
Hydrophobicity 0.171
Hydrophilicity 0.635
Buriedness 0.644
Don/acc character 2.593
SiteScore 0.787
D Score 0.600
Kd

Compound SCM
Residue . / 1662
Chain JF / AA
Non-redundant True
Interacting RNA chains A/AA
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains A/AA: rRNA
RNA family global rRNA
Volume 441.78 Å3
Hydrophobicity 0.098
Hydrophilicity 1.121
Buriedness 0.732
Don/acc character 2.522
SiteScore 1.173
D Score 1.013
Kd

Compound SCM
Residue . / 1661
Chain AM / CA
Non-redundant True
Interacting RNA chains AB/CA
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains AB/CA: rRNA
RNA family global rRNA
Volume 452.07 Å3
Hydrophobicity 0.089
Hydrophilicity 1.156
Buriedness 0.718
Don/acc character 1.756
SiteScore 1.163
D Score 0.994
Kd