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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 3hax

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 2.11
System mass 86.63 kDa
Deposition year 2009
Molecule type RNA/Protein
# RNA entities 1
Organism N/A
RCSB PDB Entry 3hax
Reference Duan Jingqi, Li Ling, Lu Jing, Wang Wei, Ye Keqiong. 2009. Structural Mechanism of Substrate RNA Recruitment in H/ACA RNA-Guided Pseudouridine Synthase Molecular Cell
Equivalence Class NR_all_38006.1
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 PG4
Residue . / 401
Chain J / C
Non-redundant True
Interacting RNA chains D/E
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains D/E: unknown
RNA family global unknown
Volume 714.13 Å3
Hydrophobicity 0.690
Hydrophilicity 1.119
Buriedness 0.868
Don/acc character 1.703
SiteScore 1.114
D Score 1.096
Kd