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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 6az3

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 Electron Microscopy
Experimental resolution 2.50
System mass 2119.49 kDa
Deposition year 2017
Molecule type RNA/Protein
# RNA entities 1
Organism Leishmania
RCSB PDB Entry 6az3
Reference Shalev-Benami Moran, Zhang Yan, Rozenberg Haim, Nobe Yuko, Taoka Masato, Matzov Donna, Zimmerman Ella, Bashan Anat, Isobe Toshiaki, Jaffe Charles L., Yonath Ada, Skiniotis Georgios. 2017. Atomic resolution snapshot of Leishmania ribosome inhibition by the aminoglycoside paromomycin Nature Communications
Equivalence Class NR_all_89238.2
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 PAR
Residue . / 1801
Chain YA / 1
Non-redundant True
Interacting RNA chains QA/1
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains QA/1: rRNA
RNA family global rRNA
Volume 727.16 Å3
Hydrophobicity 0.269
Hydrophilicity 1.102
Buriedness 0.795
Don/acc character 1.420
SiteScore 1.065
D Score 1.058
Kd

Compound PAR
Residue . / 1802
Chain ZA / 1
Non-redundant True
Interacting RNA chains QA/1
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains QA/1: rRNA
RNA family global rRNA
Volume 239.41 Å3
Hydrophobicity 0.075
Hydrophilicity 1.474
Buriedness 0.860
Don/acc character 0.876
SiteScore 0.727
D Score 0.486
Kd

Compound PAR
Residue . / 1804
Chain BB / 1
Non-redundant True
Interacting RNA chains QA/1
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains QA/1: rRNA
RNA family global rRNA
Volume 214.03 Å3
Hydrophobicity 0.064
Hydrophilicity 1.143
Buriedness 0.693
Don/acc character 1.060
SiteScore 0.671
D Score 0.566
Kd

Compound PAR
Residue . / 1805
Chain CB / 1
Non-redundant True
Interacting RNA chains QA/1
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains QA/1: rRNA
RNA family global rRNA
Volume -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd

Compound PAR
Residue . / 1702
Chain ZB / 2
Non-redundant True
Interacting RNA chains RA/2
RNA environment detailled protein, other
RNA environment global RNA/Other
RNA family chains RA/2: rRNA
RNA family global rRNA
Volume 195.17 Å3
Hydrophobicity 0.246
Hydrophilicity 1.075
Buriedness 0.758
Don/acc character 2.161
SiteScore 0.816
D Score 0.565
Kd

Compound PAR
Residue . / 1703
Chain AC / 2
Non-redundant True
Interacting RNA chains RA/2
RNA environment detailled protein, other
RNA environment global RNA/Other
RNA family chains RA/2: rRNA
RNA family global rRNA
Volume 358.78 Å3
Hydrophobicity 0.120
Hydrophilicity 0.782
Buriedness 0.664
Don/acc character 2.041
SiteScore 1.044
D Score 0.913
Kd

Compound PAR
Residue . / 1704
Chain BC / 2
Non-redundant True
Interacting RNA chains RA/2
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains RA/2: rRNA
RNA family global rRNA
Volume 189.34 Å3
Hydrophobicity 0.132
Hydrophilicity 1.153
Buriedness 0.678
Don/acc character 2.598
SiteScore 0.881
D Score 0.682
Kd

Compound PAR
Residue . / 1705
Chain CC / 2
Non-redundant True
Interacting RNA chains RA/2
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains RA/2: rRNA
RNA family global rRNA
Volume 37.39 Å3
Hydrophobicity 0.106
Hydrophilicity 0.829
Buriedness 0.477
Don/acc character 1.760
SiteScore 0.530
D Score 0.298
Kd

Compound PAR
Residue . / 201
Chain NC / 7
Non-redundant True
Interacting RNA chains WA/7, QA/1
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains QA/1: rRNA, WA/7: rRNA
RNA family global rRNA
Volume 492.21 Å3
Hydrophobicity 0.124
Hydrophilicity 1.106
Buriedness 0.798
Don/acc character 1.323
SiteScore 1.027
D Score 0.815
Kd