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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4lf8

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 3.15
System mass 795.24 kDa
Deposition year 2013
Molecule type RNA/Protein
# RNA entities 1
Organism Thermus
RCSB PDB Entry 4lf8
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 . / 1810
Chain WH / 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 97.41 Å3
Hydrophobicity 0.120
Hydrophilicity 0.808
Buriedness 0.587
Don/acc character 3.986
SiteScore 0.821
D Score 0.645
Kd

Compound PAR
Residue . / 1811
Chain XH / A
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains A/A: rRNA
RNA family global rRNA
Volume 138.23 Å3
Hydrophobicity 0.027
Hydrophilicity 1.523
Buriedness 0.735
Don/acc character 0.800
SiteScore 0.566
D Score 0.296
Kd

Compound PAR
Residue . / 1812
Chain YH / 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 655.13 Å3
Hydrophobicity 0.160
Hydrophilicity 1.290
Buriedness 0.698
Don/acc character 0.992
SiteScore 1.000
D Score 0.939
Kd

Compound PAR
Residue . / 1813
Chain ZH / 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 380.04 Å3
Hydrophobicity 0.076
Hydrophilicity 1.500
Buriedness 0.813
Don/acc character 1.350
SiteScore 0.986
D Score 0.629
Kd

Compound PAR
Residue . / 1814
Chain AI / 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 95.01 Å3
Hydrophobicity 0.070
Hydrophilicity 1.067
Buriedness 0.735
Don/acc character 1.851
SiteScore 0.651
D Score 0.554
Kd

Compound PAR
Residue . / 1815
Chain BI / 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 627.00 Å3
Hydrophobicity 0.032
Hydrophilicity 1.767
Buriedness 0.740
Don/acc character 0.718
SiteScore 1.028
D Score 0.808
Kd

Compound PAR
Residue . / 1816
Chain CI / 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 46.31 Å3
Hydrophobicity 0.000
Hydrophilicity 1.121
Buriedness 0.508
Don/acc character 2.370
SiteScore 0.554
D Score 0.278
Kd

Compound PAR
Residue . / 1817
Chain DI / 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 330.31 Å3
Hydrophobicity 0.068
Hydrophilicity 1.331
Buriedness 0.816
Don/acc character 1.126
SiteScore 0.919
D Score 0.790
Kd

Compound PAR
Residue . / 1818
Chain EI / 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 258.62 Å3
Hydrophobicity 0.229
Hydrophilicity 1.199
Buriedness 0.790
Don/acc character 1.587
SiteScore 0.965
D Score 0.707
Kd