Complex 5c45

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	2.93
System mass	36.21 kDa
Deposition year	2015
Molecule type	RNA
# RNA entities	1
Organism	Fusobacterium
RCSB PDB Entry	5c45
Reference	Howe John A., Wang Hao, Fischmann Thierry O., Balibar Carl J., Xiao Li, Galgoci Andrew M., Malinverni Juliana C., Mayhood Todd, Villafania Artjohn, Nahvi Ali, Murgolo Nicholas, Barbieri Christopher M., Mann Paul A., Carr Donna, Xia Ellen, Zuck Paul, Riley Dan, Painter Ronald E., Walker Scott S., Sherborne Brad, de Jesus Reynalda, Pan Weidong, Plotkin Michael A., Wu Jin, Rindgen Diane, Cummings John, Garlisi Charles G., Zhang Rumin, Sheth Payal R., Gill Charles J., Tang Haifeng, Roemer Terry. 2015. Selective small-molecule inhibition of an RNA structural element Nature
Equivalence Class	NR_all_63890.2 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	51B
Residue	. / 105
Chain	G / X
Non-redundant	True
Interacting RNA chains	A/X, B/Y
RNA environment detailled	RNA-only
RNA environment global	RNA
RNA family chains	A/X: riboswitch, B/Y: riboswitch
RNA family global	riboswitch
Volume	872.94 Å³
Hydrophobicity	0.705
Hydrophilicity	1.206
Buriedness	0.799
Don/acc character	1.027
SiteScore	1.218
D Score	1.026
Kd	—