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HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 3cpw

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 2.70
System mass 1474.42 kDa
Deposition year 2008
Molecule type RNA/Protein
# RNA entities 1
Organism Haloarcula
RCSB PDB Entry 3cpw
Reference Ippolito Joseph A., Kanyo Zoltan F., Wang Deping, Franceschi Francois J., Moore Peter B., Steitz Thomas A., Duffy Erin M.. 2008. Crystal Structure of the Oxazolidinone Antibiotic Linezolid Bound to the 50S Ribosomal Subunit Journal of Medicinal Chemistry
Equivalence Class NR_all_26150.5, NR_all_98567.1
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 ZLD
Residue . / 9500
Chain FA / 0
Non-redundant True
Interacting RNA chains A/0, EA/4
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains A/0: rRNA, EA/4: rRNA
RNA family global rRNA
Volume 510.38 Å3
Hydrophobicity 0.938
Hydrophilicity 0.906
Buriedness 0.813
Don/acc character 1.447
SiteScore 1.253
D Score 1.132
Kd