HARIBOSS logo

HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 5hl7

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 3.55
System mass 1365.46 kDa
Deposition year 2016
Molecule type RNA/Protein
# RNA entities 1
Organism Staphylococcus
RCSB PDB Entry 5hl7
Reference Eyal Zohar, Matzov Donna, Krupkin Miri, Paukner Susanne, Riedl Rosemarie, Rozenberg Haim, Zimmerman Ella, Bashan Anat, Yonath Ada. 2016. A novel pleuromutilin antibacterial compound, its binding mode and selectivity mechanism Scientific Reports
Equivalence Class NR_all_90633.30
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 62B
Residue . / 3003
Chain IA / X
Non-redundant True
Interacting RNA chains B/X
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains B/X: rRNA
RNA family global rRNA
Volume 765.23 Å3
Hydrophobicity 0.481
Hydrophilicity 1.112
Buriedness 0.738
Don/acc character 1.576
SiteScore 1.177
D Score 1.020
Kd

Compound EPE
Residue . / 201
Chain LU / N
Non-redundant True
Interacting RNA chains B/X
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains B/X: rRNA
RNA family global rRNA
Volume 497.69 Å3
Hydrophobicity 0.213
Hydrophilicity 1.735
Buriedness 0.907
Don/acc character 1.049
SiteScore 1.140
D Score 0.919
Kd