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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 6gaw

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 3.20
System mass 3207.14 kDa
Deposition year 2018
Molecule type RNA/Protein
# RNA entities 1
Organism Sus
RCSB PDB Entry 6gaw
Reference Kummer Eva, Leibundgut Marc, Rackham Oliver, Lee Richard G., Boehringer Daniel, Filipovska Aleksandra, Ban Nenad. 2018. Unique features of mammalian mitochondrial translation initiation revealed by cryo-EM Nature
Equivalence Class NR_all_24610.5, NR_all_19551.9
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 5GP
Residue . / 3203
Chain OK / BA
Non-redundant True
Interacting RNA chains Q/BA
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains Q/BA: rRNA
RNA family global rRNA
Volume 325.16 Å3
Hydrophobicity 0.196
Hydrophilicity 1.009
Buriedness 0.645
Don/acc character 1.707
SiteScore 1.102
D Score 0.974
Kd

Compound 5GP
Residue . / 3204
Chain PK / BA
Non-redundant True
Interacting RNA chains Q/BA
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains Q/BA: rRNA
RNA family global rRNA
Volume 237.01 Å3
Hydrophobicity 0.238
Hydrophilicity 1.441
Buriedness 0.577
Don/acc character 0.547
SiteScore 1.069
D Score 0.817
Kd

Compound SPM
Residue . / 3205
Chain QK / BA
Non-redundant True
Interacting RNA chains Q/BA
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains Q/BA: rRNA
RNA family global rRNA
Volume 671.94 Å3
Hydrophobicity 0.176
Hydrophilicity 1.386
Buriedness 0.814
Don/acc character 1.552
SiteScore 1.078
D Score 0.977
Kd

Compound SPM
Residue . / 201
Chain DL / BR
Non-redundant True
Interacting RNA chains Q/BA
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains Q/BA: rRNA
RNA family global rRNA
Volume 608.83 Å3
Hydrophobicity 0.198
Hydrophilicity 1.113
Buriedness 0.739
Don/acc character 1.288
SiteScore 1.027
D Score 1.021
Kd

Compound SPM
Residue . / 3001
Chain JL / AA
Non-redundant True
Interacting RNA chains JB/AA
RNA environment detailled ion
RNA environment global RNA
RNA family chains JB/AA: rRNA
RNA family global rRNA
Volume 807.08 Å3
Hydrophobicity 0.175
Hydrophilicity 1.164
Buriedness 0.786
Don/acc character 2.584
SiteScore 1.209
D Score 1.032
Kd