Complex 4yaz

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	2.00
System mass	56.27 kDa
Deposition year	2015
Molecule type	RNA
# RNA entities	1
Organism	Geobacter
RCSB PDB Entry	4yaz
Reference	Ren Aiming, Wang Xin C., Kellenberger Colleen A., Rajashankar Kanagalaghatta R., Jones Roger A., Hammond Ming C., Patel Dinshaw J.. 2015. Structural Basis for Molecular Discrimination by a 3′,3′-cGAMP Sensing Riboswitch Cell Reports
Equivalence Class	NR_all_31480.3 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	4BW
Residue	. / 106
Chain	H / R
Non-redundant	True
Interacting RNA chains	A/R
RNA environment detailled	RNA-only
RNA environment global	RNA
RNA family chains	A/R: riboswitch
RNA family global	riboswitch
Volume	337.51 Å³
Hydrophobicity	0.199
Hydrophilicity	1.268
Buriedness	0.708
Don/acc character	0.764
SiteScore	0.568
D Score	0.942
Kd	66.7nM

Pocket 2

Compound	4BW
Residue	. / 103
Chain	L / A
Non-redundant	True
Interacting RNA chains	B/A
RNA environment detailled	RNA-only
RNA environment global	RNA
RNA family chains	B/A: riboswitch
RNA family global	riboswitch
Volume	234.27 Å³
Hydrophobicity	0.649
Hydrophilicity	0.982
Buriedness	0.734
Don/acc character	0.925
SiteScore	1.136
D Score	0.997
Kd	66.7nM