HARIBOSS logo

HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Illustration - complex

Complex 7xd9

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 2.58
System mass 530.76 kDa
Deposition year 2022
Molecule type RNA/Protein
# RNA entities 1
Organism N/A
RCSB PDB Entry 7xd9
Reference Wu Jiqin, Wang Xinyu, Liu Qiaojie, Lu Guoliang, Gong Peng. 2023. Structural basis of transition from initiation to elongation in de novo viral RNA-dependent RNA polymerases Proceedings of the National Academy of Sciences
Equivalence Class NR_all_65987.4
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 CTP
Residue . / 1007
Chain Y / A
Non-redundant True
Interacting RNA chains B/B, C/C
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains B/B: synthetic construct, C/C: synthetic construct
RNA family global synthetic construct
Volume 615.69 Å3
Hydrophobicity 0.287
Hydrophilicity 1.481
Buriedness 0.825
Don/acc character 0.503
SiteScore 1.085
D Score 0.952
Kd

Compound CTP
Residue . / 1009
Chain HA / D
Non-redundant False
Interacting RNA chains E/E, F/F
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains E/E: synthetic construct, F/F: synthetic construct
RNA family global synthetic construct
Volume 744.31 Å3
Hydrophobicity 0.452
Hydrophilicity 1.316
Buriedness 0.805
Don/acc character 0.553
SiteScore 1.072
D Score 0.994
Kd

Compound CTP
Residue . / 1005
Chain OA / G
Non-redundant False
Interacting RNA chains H/H, I/I
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains H/H: synthetic construct, I/I: synthetic construct
RNA family global synthetic construct
Volume 695.26 Å3
Hydrophobicity 0.310
Hydrophilicity 1.443
Buriedness 0.819
Don/acc character 0.484
SiteScore 1.081
D Score 0.961
Kd

Compound CTP
Residue . / 1006
Chain VA / J
Non-redundant False
Interacting RNA chains K/K, L/L
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains K/K: synthetic construct, L/L: synthetic construct
RNA family global synthetic construct
Volume 605.40 Å3
Hydrophobicity 0.312
Hydrophilicity 1.517
Buriedness 0.838
Don/acc character 0.483
SiteScore 1.094
D Score 0.948
Kd

Compound CTP
Residue . / 1006
Chain CB / M
Non-redundant False
Interacting RNA chains N/N, O/O
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains N/N: synthetic construct, O/O: synthetic construct
RNA family global synthetic construct
Volume 616.71 Å3
Hydrophobicity 0.371
Hydrophilicity 1.329
Buriedness 0.798
Don/acc character 0.582
SiteScore 1.067
D Score 0.985
Kd

Compound CTP
Residue . / 1005
Chain HB / P
Non-redundant False
Interacting RNA chains R/R, Q/Q
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains Q/Q: synthetic construct, R/R: synthetic construct
RNA family global synthetic construct
Volume 586.19 Å3
Hydrophobicity 0.232
Hydrophilicity 1.416
Buriedness 0.825
Don/acc character 0.614
SiteScore 1.085
D Score 0.973
Kd