Complex 2l8h

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	Solution NMR
Experimental resolution	N/A
System mass	9.66 kDa
Deposition year	2011
Molecule type	RNA
# RNA entities	1
Organism	N/A
RCSB PDB Entry	2l8h
Reference	Davidson Amy, Begley Darren W., Lau Carmen, Varani Gabriele. 2011. A Small-Molecule Probe Induces a Conformation in HIV TAR RNA Capable of Binding Drug-Like Fragments Journal of Molecular Biology
Equivalence Class	NR_all_24333.1 BGSU version: 4.52

Pockets List

Legend

Cell colors for SiteScore and D Score:

Favourable

Intermediate

Unfavourable

Not available

Score	Threshold	Meaning
SiteScore	< 0.8	Non-drug binding site
SiteScore	0.8 – 1.0	Potential drug binding site
SiteScore	> 1.0	Promising binding site
D Score	< 0.83	Undruggable
D Score	0.83 – 0.98	Difficult
D Score	> 0.98	Druggable

Tick a pocket below to highlight it in the 3D structure above.

Pocket 1

Compound	ARG
Residue	. / 1
Chain	B / A
Non-redundant	True
Interacting RNA chains	A/A
RNA environment detailled	other
RNA environment global	RNA/Other
RNA family chains	A/A: TAR_rna
RNA family global	TAR_rna
Volume	274.40 Å³
Hydrophobicity	0.234
Hydrophilicity	1.297
Buriedness	0.722
Don/acc character	1.668
SiteScore	1.166
D Score	0.951
Kd	—

Pocket 2

Compound	L8H
Residue	. / 2
Chain	C / A
Non-redundant	True
Interacting RNA chains	A/A
RNA environment detailled	other
RNA environment global	RNA/Other
RNA family chains	A/A: TAR_rna
RNA family global	TAR_rna
Volume	160.87 Å³
Hydrophobicity	0.260
Hydrophilicity	0.986
Buriedness	0.589
Don/acc character	2.244
SiteScore	0.990
D Score	0.846
Kd	—