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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4x62

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 3.45
System mass 784.71 kDa
Deposition year 2014
Molecule type RNA/Protein
# RNA entities 1
Organism Thermus
RCSB PDB Entry 4x62
Reference Choi Junhong, Ieong Ka-Weng, Demirci Hasan, Chen Jin, Petrov Alexey, Prabhakar Arjun, O'Leary Seán E, Dominissini Dan, Rechavi Gideon, Soltis S Michael, Ehrenberg Måns, Puglisi Joseph D. 2016. N6-methyladenosine in mRNA disrupts tRNA selection and translation-elongation dynamics Nature Structural & Molecular Biology
Equivalence Class NR_all_65795.87
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 . / 1601
Chain X / A
Non-redundant False
Interacting RNA chains A/A
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: rRNA
RNA family global rRNA
Volume 120.74 Å3
Hydrophobicity 0.147
Hydrophilicity 0.886
Buriedness 0.623
Don/acc character 3.182
SiteScore 0.668
D Score 0.625
Kd

Compound PAR
Residue . / 1602
Chain Y / A
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains A/A: rRNA
RNA family global rRNA
Volume 150.23 Å3
Hydrophobicity 0.044
Hydrophilicity 1.400
Buriedness 0.814
Don/acc character 3.017
SiteScore 0.587
D Score 0.344
Kd

Compound PAR
Residue . / 1603
Chain Z / A
Non-redundant False
Interacting RNA chains A/A
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/A: rRNA
RNA family global rRNA
Volume 508.33 Å3
Hydrophobicity 0.105
Hydrophilicity 1.446
Buriedness 0.808
Don/acc character 1.153
SiteScore 1.047
D Score 0.717
Kd

Compound PAR
Residue . / 1604
Chain AA / A
Non-redundant False
Interacting RNA chains A/A
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains A/A: rRNA
RNA family global rRNA
Volume 625.63 Å3
Hydrophobicity 0.172
Hydrophilicity 1.453
Buriedness 0.712
Don/acc character 1.426
SiteScore 1.009
D Score 0.893
Kd

Compound PAR
Residue . / 1605
Chain BA / A
Non-redundant False
Interacting RNA chains A/A
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains A/A: rRNA
RNA family global rRNA
Volume 629.41 Å3
Hydrophobicity 0.012
Hydrophilicity 1.886
Buriedness 0.733
Don/acc character 0.778
SiteScore 1.023
D Score 0.765
Kd

Compound PAR
Residue . / 1606
Chain CA / A
Non-redundant False
Interacting RNA chains A/A
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: rRNA
RNA family global rRNA
Volume 55.57 Å3
Hydrophobicity 0.000
Hydrophilicity 1.911
Buriedness 0.871
Don/acc character 1.091
SiteScore 0.899
D Score 0.370
Kd