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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 5tgm

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 3.50
System mass 6309.67 kDa
Deposition year 2016
Molecule type RNA/Protein
# RNA entities 1
Organism Saccharomyces
RCSB PDB Entry 5tgm
Reference Melnikov Sergey, Mailliot Justine, Rigger Lukas, Neuner Sandro, Shin Byung‐Sik, Yusupova Gulnara, Dever Thomas E, Micura Ronald, Yusupov Marat. 2016. Molecular insights into protein synthesis with proline residues The EMBO Reports
Equivalence Class NR_all_90506.85, NR_all_66870.2
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 PHE
Residue . / 3401
Chain PHB / 5
Non-redundant True
Interacting RNA chains KD/5
RNA environment detailled other
RNA environment global RNA/Other
RNA family chains KD/5: rRNA
RNA family global rRNA
Volume 375.93 Å3
Hydrophobicity 0.071
Hydrophilicity 1.337
Buriedness 0.846
Don/acc character 1.337
SiteScore 0.792
D Score 0.847
Kd

Compound PHE
Residue . / 3401
Chain HP / 1
Non-redundant True
Interacting RNA chains JA/1
RNA environment detailled other
RNA environment global RNA/Other
RNA family chains JA/1: rRNA
RNA family global rRNA
Volume 590.99 Å3
Hydrophobicity 0.466
Hydrophilicity 0.999
Buriedness 0.802
Don/acc character 1.403
SiteScore 1.227
D Score 1.095
Kd

Compound SPS
Residue . / 101
Chain XPC / P
Non-redundant False
Interacting RNA chains JA/1, GF/P
RNA environment detailled ion, other
RNA environment global RNA/Other
RNA family chains GF/P: tRNA, JA/1: rRNA
RNA family global multiple
Volume 518.27 Å3
Hydrophobicity 0.364
Hydrophilicity 1.258
Buriedness 0.774
Don/acc character 0.990
SiteScore 1.201
D Score 0.994
Kd

Compound SPS
Residue . / 101
Chain AQC / p
Non-redundant False
Interacting RNA chains KD/5, HF/p
RNA environment detailled ion, other
RNA environment global RNA/Other
RNA family chains HF/p: tRNA, KD/5: rRNA
RNA family global multiple
Volume 238.73 Å3
Hydrophobicity 0.553
Hydrophilicity 1.345
Buriedness 0.826
Don/acc character 0.926
SiteScore 1.005
D Score 0.702
Kd