HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Complex 4w2i

System information

Experimental technique X-ray
Experimental resolution 2.70
System mass 4555.29 kDa
Deposition year 2014
Molecule type RNA/Protein
# RNA entities 1
Organism Thermus
RCSB PDB Entry 4w2i
Reference Polikanov Yury S., Szal Teresa, Jiang Fuyan, Gupta Pulkit, Matsuda Ryoichi, Shiozuka Masataka, Steitz Thomas A., Vázquez-Laslop Nora, Mankin Alexander S.. . Negamycin Interferes with Decoding and Translocation by Simultaneous Interaction with rRNA and tRNA Molecular Cell
Equivalence Class NR_all_65795.87, NR_all_97519.80, NR_all_19951.100
BGSU version: 4.48

Compound NEG
Residue . / 3004
Chain QDB / CX
Non-redundant True
Interacting RNA chains DC/DA
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains DC/DA: rRNA
RNA family global rRNA
Volume 375.93 Å3
Hydrophobicity 0.028
Hydrophilicity 1.219
Buriedness 0.704
Don/acc character 2.280
SiteScore 1.154
D Score 0.965
Kd

Compound NEG
Residue . / 3216
Chain PL / AA
Non-redundant True
Interacting RNA chains A/AA, W/AW
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/AA: rRNA, W/AW: tRNA
RNA family global multiple
Volume 179.05 Å3
Hydrophobicity 0.017
Hydrophilicity 1.766
Buriedness 0.595
Don/acc character 0.618
SiteScore 1.000
D Score 0.617
Kd

Compound NEG
Residue . / 3217
Chain QL / AA
Non-redundant True
Interacting RNA chains A/AA
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains A/AA: rRNA
RNA family global rRNA
Volume 583.44 Å3
Hydrophobicity 0.132
Hydrophilicity 1.247
Buriedness 0.769
Don/acc character 1.969
SiteScore 1.198
D Score 0.995
Kd

Compound NEG
Residue . / 3218
Chain RL / AA
Non-redundant True
Interacting RNA chains A/AA
RNA environment detailled ion
RNA environment global RNA
RNA family chains A/AA: rRNA
RNA family global rRNA
Volume -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd

Compound NEG
Residue . / 3219
Chain SL / AA
Non-redundant True
Interacting RNA chains A/AA
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains A/AA: rRNA
RNA family global rRNA
Volume 351.92 Å3
Hydrophobicity 0.011
Hydrophilicity 1.225
Buriedness 0.562
Don/acc character 1.234
SiteScore 1.059
D Score 0.878
Kd

Compound NEG
Residue . / 3220
Chain TL / AA
Non-redundant True
Interacting RNA chains Z/BA
RNA environment detailled ion
RNA environment global RNA
RNA family chains Z/BA: rRNA
RNA family global rRNA
Volume 535.08 Å3
Hydrophobicity 0.045
Hydrophilicity 0.998
Buriedness 0.545
Don/acc character 3.273
SiteScore 1.056
D Score 0.942
Kd

Compound NEG
Residue . / 3221
Chain UL / AA
Non-redundant True
Interacting RNA chains Z/BA
RNA environment detailled ion
RNA environment global RNA
RNA family chains Z/BA: rRNA
RNA family global rRNA
Volume 354.66 Å3
Hydrophobicity 0.000
Hydrophilicity 1.321
Buriedness 0.701
Don/acc character 1.366
SiteScore 1.028
D Score 0.771
Kd

Compound NEG
Residue . / 3222
Chain VL / AA
Non-redundant True
Interacting RNA chains Z/BA
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains Z/BA: rRNA
RNA family global rRNA
Volume 298.41 Å3
Hydrophobicity 0.017
Hydrophilicity 1.784
Buriedness 0.632
Don/acc character 1.204
SiteScore 1.036
D Score 0.649
Kd

Compound NEG
Residue . / 3004
Chain QM / AW
Non-redundant True
Interacting RNA chains Z/BA
RNA environment detailled ion
RNA environment global RNA
RNA family chains Z/BA: rRNA
RNA family global rRNA
Volume -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd

Compound NEG
Residue . / 3013
Chain EN / AX
Non-redundant True
Interacting RNA chains Z/BA
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains Z/BA: rRNA
RNA family global rRNA
Volume 354.32 Å3
Hydrophobicity 0.017
Hydrophilicity 1.236
Buriedness 0.712
Don/acc character 1.949
SiteScore 1.114
D Score 0.906
Kd

Compound NEG
Residue . / 3170
Chain PCB / CA
Non-redundant True
Interacting RNA chains EB/CA, AC/CW
RNA environment detailled ion
RNA environment global RNA
RNA family chains AC/CW: tRNA, EB/CA: rRNA
RNA family global multiple
Volume 141.66 Å3
Hydrophobicity 0.043
Hydrophilicity 1.364
Buriedness 0.559
Don/acc character 1.081
SiteScore 0.954
D Score 0.699
Kd

Compound NEG
Residue . / 3171
Chain QCB / CA
Non-redundant True
Interacting RNA chains EB/CA
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains EB/CA: rRNA
RNA family global rRNA
Volume 397.19 Å3
Hydrophobicity 0.061
Hydrophilicity 1.325
Buriedness 0.785
Don/acc character 2.282
SiteScore 1.151
D Score 0.906
Kd

Compound NEG
Residue . / 3172
Chain RCB / CA
Non-redundant True
Interacting RNA chains EB/CA
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains EB/CA: rRNA
RNA family global rRNA
Volume 48.02 Å3
Hydrophobicity 0.055
Hydrophilicity 1.013
Buriedness 0.525
Don/acc character 4.565
SiteScore 0.681
D Score 0.464
Kd

Compound NEG
Residue . / 3173
Chain SCB / CA
Non-redundant True
Interacting RNA chains EB/CA
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains EB/CA: rRNA
RNA family global rRNA
Volume 81.29 Å3
Hydrophobicity 0.000
Hydrophilicity 1.464
Buriedness 0.681
Don/acc character 0.944
SiteScore 0.734
D Score 0.352
Kd

Compound NEG
Residue . / 3174
Chain TCB / CA
Non-redundant True
Interacting RNA chains DC/DA
RNA environment detailled ion
RNA environment global RNA
RNA family chains DC/DA: rRNA
RNA family global rRNA
Volume 445.56 Å3
Hydrophobicity 0.027
Hydrophilicity 1.978
Buriedness 0.694
Don/acc character 0.978
SiteScore 1.147
D Score 0.711
Kd

Compound NEG
Residue . / 3175
Chain UCB / CA
Non-redundant True
Interacting RNA chains DC/DA
RNA environment detailled RNA-only
RNA environment global RNA
RNA family chains DC/DA: rRNA
RNA family global rRNA
Volume 460.65 Å3
Hydrophobicity 0.043
Hydrophilicity 1.632
Buriedness 0.686
Don/acc character 0.726
SiteScore 1.142
D Score 0.820
Kd

Compound NEG
Residue . / 3176
Chain VCB / CA
Non-redundant True
Interacting RNA chains DC/DA
RNA environment detailled protein, ion
RNA environment global RNA/Protein
RNA family chains DC/DA: rRNA
RNA family global rRNA
Volume 295.32 Å3
Hydrophobicity 0.043
Hydrophilicity 1.729
Buriedness 0.635
Don/acc character 1.265
SiteScore 1.059
D Score 0.694
Kd

Compound NEG
Residue . / 3177
Chain WCB / CA
Non-redundant True
Interacting RNA chains DC/DA
RNA environment detailled protein
RNA environment global RNA/Protein
RNA family chains DC/DA: rRNA
RNA family global rRNA
Volume -
Hydrophobicity -
Hydrophilicity -
Buriedness -
Don/acc character -
SiteScore -
D Score -
Kd

Compound NEG
Residue . / 3002
Chain LDB / CW
Non-redundant True
Interacting RNA chains DC/DA
RNA environment detailled ion
RNA environment global RNA
RNA family chains DC/DA: rRNA
RNA family global rRNA
Volume 91.58 Å3
Hydrophobicity 0.068
Hydrophilicity 1.195
Buriedness 0.521
Don/acc character 0.973
SiteScore 0.817
D Score 0.587
Kd