Complex 4w90

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	3.12
System mass	50.43 kDa
Deposition year	2014
Molecule type	RNA/Protein
# RNA entities	1
Organism	Bacillus
RCSB PDB Entry	4w90
Reference	Jones Christopher P, Ferré‐D'Amaré Adrian R. 2014. Crystal structure of a c‐di‐AMP riboswitch reveals an internally pseudo‐dimeric RNA The EMBO Journal
Equivalence Class	NR_all_00626.3 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	2BA
Residue	. / 201
Chain	C / C
Non-redundant	True
Interacting RNA chains	B/C
RNA environment detailled	RNA-only
RNA environment global	RNA
RNA family chains	B/C: riboswitch
RNA family global	riboswitch
Volume	432.87 Å³
Hydrophobicity	0.428
Hydrophilicity	0.977
Buriedness	0.717
Don/acc character	1.202
SiteScore	1.025
D Score	1.052
Kd	53.1nM

Pocket 2

Compound	2BA
Residue	. / 202
Chain	D / C
Non-redundant	True
Interacting RNA chains	B/C
RNA environment detailled	RNA-only
RNA environment global	RNA
RNA family chains	B/C: riboswitch
RNA family global	riboswitch
Volume	383.13 Å³
Hydrophobicity	0.210
Hydrophilicity	0.954
Buriedness	0.675
Don/acc character	1.481
SiteScore	0.877
D Score	0.875
Kd	53.1nM