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HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4lfb

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 3.01
System mass 792.03 kDa
Deposition year 2013
Molecule type RNA/Protein
# RNA entities 1
Organism Thermus
RCSB PDB Entry 4lfb
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 NMY
Residue . / 1822
Chain II / A
Non-redundant True
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 80.26 Å3
Hydrophobicity 0.083
Hydrophilicity 0.837
Buriedness 0.583
Don/acc character 3.972
SiteScore 0.657
D Score 0.625
Kd

Compound NMY
Residue . / 1823
Chain JI / 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 213.35 Å3
Hydrophobicity 0.028
Hydrophilicity 1.650
Buriedness 0.807
Don/acc character 0.711
SiteScore 0.699
D Score 0.407
Kd

Compound NMY
Residue . / 1824
Chain KI / A
Non-redundant True
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 267.20 Å3
Hydrophobicity 0.152
Hydrophilicity 1.155
Buriedness 0.667
Don/acc character 1.446
SiteScore 1.068
D Score 0.885
Kd