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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 6czr

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 3.14
System mass 4856.57 kDa
Deposition year 2018
Molecule type RNA/Protein
# RNA entities 1
Organism Thermus
RCSB PDB Entry 6czr
Reference Serrano Catherine M., Kanna Reddy Hariprasada Reddy, Eiler Daniel, Koch Michael, Tresco Ben I. C., Barrows Louis R., VanderLinden Ryan T., Testa Charles A., Sebahar Paul R., Looper Ryan E.. 2020. Unifying the Aminohexopyranose‐ and Peptidyl‐Nucleoside Antibiotics: Implications for Antibiotic Design Angewandte Chemie
Equivalence Class NR_all_97519.80, NR_all_42622.80
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 ARG
Residue . / 3799
Chain SHA / 1A
Non-redundant True
Interacting RNA chains A/1A
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains A/1A: rRNA
RNA family global rRNA
Volume 552.92 Å3
Hydrophobicity 0.116
Hydrophilicity 1.395
Buriedness 0.706
Don/acc character 0.647
SiteScore 1.006
D Score 0.909
Kd

Compound ARG
Residue . / 223
Chain EKA / 1B
Non-redundant True
Interacting RNA chains B/1B
RNA environment detailled ion
RNA environment global RNA
RNA family chains B/1B: rRNA
RNA family global rRNA
Volume 195.51 Å3
Hydrophobicity 0.000
Hydrophilicity 1.986
Buriedness 0.604
Don/acc character 0.816
SiteScore 0.945
D Score 0.473
Kd

Compound FSD
Residue . / 3801
Chain UHA / 1A
Non-redundant True
Interacting RNA chains A/1A
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains A/1A: rRNA
RNA family global rRNA
Volume 595.11 Å3
Hydrophobicity 0.243
Hydrophilicity 1.918
Buriedness 0.733
Don/acc character 0.531
SiteScore 0.997
D Score 0.755
Kd

Compound FSD
Residue . / 3553
Chain LRB / 2A
Non-redundant True
Interacting RNA chains AB/2A
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains AB/2A: rRNA
RNA family global rRNA
Volume 691.83 Å3
Hydrophobicity 0.157
Hydrophilicity 1.738
Buriedness 0.734
Don/acc character 0.620
SiteScore 1.174
D Score 0.814
Kd