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Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 4khp

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 3.10
System mass 770.16 kDa
Deposition year 2013
Molecule type RNA/Protein
# RNA entities 1
Organism Thermus
RCSB PDB Entry 4khp
Reference Tourigny David S., Fernández Israel S., Kelley Ann C., Vakiti Ramkrishna Reddy, Chattopadhyay Amit Kumar, Dorich Stéphane, Hanessian Stephen, Ramakrishnan V.. 2013. Crystal Structure of a Bioactive Pactamycin Analog Bound to the 30S Ribosomal Subunit Journal of Molecular Biology
Equivalence Class NR_all_65795.87, NR_all_73146.3
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 PAR
Residue . / 1601
Chain W / A
Non-redundant False
Interacting RNA chains A/A
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: rRNA
RNA family global rRNA
Volume 75.12 Å3
Hydrophobicity 0.048
Hydrophilicity 0.933
Buriedness 0.548
Don/acc character 4.425
SiteScore 0.795
D Score 0.612
Kd

Compound PAR
Residue . / 1602
Chain X / A
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains A/A: rRNA
RNA family global rRNA
Volume 163.95 Å3
Hydrophobicity 0.259
Hydrophilicity 1.079
Buriedness 0.806
Don/acc character 4.990
SiteScore 0.817
D Score 0.553
Kd

Compound PAR
Residue . / 1603
Chain Y / A
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains A/A: rRNA
RNA family global rRNA
Volume 119.02 Å3
Hydrophobicity 0.364
Hydrophilicity 1.133
Buriedness 0.787
Don/acc character 1.401
SiteScore 0.732
D Score 0.534
Kd

Compound PAR
Residue . / 1604
Chain Z / A
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains A/A: rRNA
RNA family global rRNA
Volume 667.82 Å3
Hydrophobicity 0.084
Hydrophilicity 1.286
Buriedness 0.733
Don/acc character 1.330
SiteScore 1.023
D Score 0.961
Kd

Compound PAR
Residue . / 1605
Chain AA / A
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: rRNA
RNA family global rRNA
Volume 522.73 Å3
Hydrophobicity 0.016
Hydrophilicity 0.769
Buriedness 0.557
Don/acc character 3.565
SiteScore 1.108
D Score 1.024
Kd

Compound PAR
Residue . / 1606
Chain BA / A
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains A/A: rRNA
RNA family global rRNA
Volume 397.54 Å3
Hydrophobicity 0.278
Hydrophilicity 1.109
Buriedness 0.771
Don/acc character 1.759
SiteScore 1.033
D Score 0.829
Kd

Compound PAR
Residue . / 1607
Chain CA / A
Non-redundant True
Interacting RNA chains A/A
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: rRNA
RNA family global rRNA
Volume 336.48 Å3
Hydrophobicity 0.112
Hydrophilicity 1.272
Buriedness 0.839
Don/acc character 1.600
SiteScore 0.710
D Score 0.661
Kd

Compound PCY
Residue . / 1608
Chain DA / A
Non-redundant True
Interacting RNA chains A/A, V/X
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains A/A: rRNA, V/X: mRNA
RNA family global multiple
Volume 604.02 Å3
Hydrophobicity 0.214
Hydrophilicity 1.131
Buriedness 0.685
Don/acc character 1.981
SiteScore 1.141
D Score 0.982
Kd