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HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 1tfw

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 2.20
System mass 231.12 kDa
Deposition year 2004
Molecule type RNA/Protein
# RNA entities 1
Organism N/A
RCSB PDB Entry 1tfw
Reference Xiong Yong, Steitz Thomas A.. 2004. Mechanism of transfer RNA maturation by CCA-adding enzyme without using an oligonucleotide template Nature
Equivalence Class NR_all_65598.3
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 ATP
Residue . / 1501
Chain L / B
Non-redundant True
Interacting RNA chains B/H
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains B/H: tRNA
RNA family global tRNA
Volume 548.80 Å3
Hydrophobicity 0.120
Hydrophilicity 1.602
Buriedness 0.841
Don/acc character 0.840
SiteScore 1.096
D Score 0.922
Kd

Compound ATP
Residue . / 1502
Chain N / D
Non-redundant True
Interacting RNA chains D/I
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains D/I: tRNA
RNA family global tRNA
Volume 645.18 Å3
Hydrophobicity 0.152
Hydrophilicity 1.479
Buriedness 0.846
Don/acc character 0.812
SiteScore 1.099
D Score 0.966
Kd