HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Complex 7oaw

System information

Experimental technique X-ray
Experimental resolution 2.95
System mass 72.16 kDa
Deposition year 2021
Molecule type RNA
# RNA entities 1
Organism N/A
RCSB PDB Entry 7oaw
Reference Mieczkowski Mateusz, Steinmetzger Christian, Bessi Irene, Lenz Ann-Kathrin, Schmiedel Alexander, Holzapfel Marco, Lambert Christoph, Pena Vladimir, Höbartner Claudia. . Large Stokes shift fluorescence activation in an RNA aptamer by intermolecular proton transfer to guanine Nature Communications
Equivalence Class NR_all_84656.3
BGSU version: 4.49

Compound GTP
Residue . / 101
Chain K / B
Non-redundant True
Interacting RNA chains B/B
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains B/B: aptamer_rna
RNA family global aptamer_rna
Volume 42.88 Å3
Hydrophobicity 0.011
Hydrophilicity 0.647
Buriedness 0.402
Don/acc character 4.997
SiteScore 0.776
D Score 0.647
Kd

Compound GTP
Residue . / 102
Chain Q / C
Non-redundant False
Interacting RNA chains C/C
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains C/C: aptamer_rna
RNA family global aptamer_rna
Volume -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd

Compound SPM
Residue . / 101
Chain P / C
Non-redundant False
Interacting RNA chains C/C, A/A
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/A: aptamer_rna, C/C: aptamer_rna
RNA family global aptamer_rna
Volume 720.99 Å3
Hydrophobicity 0.448
Hydrophilicity 1.072
Buriedness 0.710
Don/acc character 2.551
SiteScore 1.158
D Score 1.017
Kd

Compound V6T
Residue . / 104
Chain H / A
Non-redundant True
Interacting RNA chains C/C, A/A
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/A: aptamer_rna, C/C: aptamer_rna
RNA family global aptamer_rna
Volume 507.98 Å3
Hydrophobicity 0.735
Hydrophilicity 0.980
Buriedness 0.748
Don/acc character 1.411
SiteScore 1.195
D Score 1.069
Kd

Compound V6T
Residue . / 104
Chain N / B
Non-redundant False
Interacting RNA chains D/D, B/B
RNA environment detailled ion
RNA environment global RNA
RNA family chains B/B: aptamer_rna, D/D: aptamer_rna
RNA family global aptamer_rna
Volume 547.09 Å3
Hydrophobicity 0.822
Hydrophilicity 0.987
Buriedness 0.766
Don/acc character 1.347
SiteScore 1.206
D Score 1.078
Kd

Compound V6T
Residue . / 105
Chain T / C
Non-redundant True
Interacting RNA chains C/C, A/A
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/A: aptamer_rna, C/C: aptamer_rna
RNA family global aptamer_rna
Volume 498.72 Å3
Hydrophobicity 0.995
Hydrophilicity 0.877
Buriedness 0.755
Don/acc character 1.310
SiteScore 1.220
D Score 1.107
Kd

Compound V6T
Residue . / 104
Chain Y / D
Non-redundant False
Interacting RNA chains D/D, B/B
RNA environment detailled ion
RNA environment global RNA
RNA family chains B/B: aptamer_rna, D/D: aptamer_rna
RNA family global aptamer_rna
Volume 262.74 Å3
Hydrophobicity 1.001
Hydrophilicity 0.854
Buriedness 0.755
Don/acc character 1.819
SiteScore 1.159
D Score 1.031
Kd