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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 1nbk

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 Solution NMR
Experimental resolution N/A
System mass 11.27 kDa
Deposition year 2002
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 1nbk
Reference Matsugami Akimasa, Kobayashi Shin-ichiro, Ouhashi Kiyoshi, Uesugi Seiichi, Yamamoto Rika, Taira Kazunari, Nishikawa Satoshi, Kumar Penmetcha K.R, Katahira Masato. 2003. Structural Basis of the Highly Efficient Trapping of the HIV Tat Protein by an RNA Aptamer Structure
Equivalence Class NR_all_32674.1
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 GND
Residue . / 35
Chain B / A
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled other
RNA environment global RNA/Other
RNA family chains A/A: aptamer_rna
RNA family global aptamer_rna
Volume 152.64 Å3
Hydrophobicity 0.170
Hydrophilicity 0.496
Buriedness 0.481
Don/acc character 1.924
SiteScore 1.110
D Score 1.067
Kd

Compound GND
Residue . / 36
Chain C / A
Non-redundant False
Interacting RNA chains A/A
RNA environment detailled other
RNA environment global RNA/Other
RNA family chains A/A: aptamer_rna
RNA family global aptamer_rna
Volume 225.01 Å3
Hydrophobicity 0.334
Hydrophilicity 0.928
Buriedness 0.680
Don/acc character 1.675
SiteScore 0.980
D Score 0.815
Kd