5LWJ
Solution NMR structure of the GTP binding Class II RNA aptamer-ligand-complex containing a protonated adenine nucleotide with a highly shifted pKa.
Spectrometer
Experimental method: SOLUTION NMR
| Spectrometer ID | Spectrometer maker | Spectrometer model | Spectrometer type | Spectrometer field strength |
| 2 | Bruker | AVANCE | 600 | |
| 4 | Bruker | AVANCE | 950 | |
| 5 | Bruker | AVANCE | 900 | |
| 6 | Bruker | AVANCE | 800 | |
| 7 | Bruker | AVANCE | 700 |
Experiment
| experiment id | conditions id | solution id | Experiment type |
| 1 | 1 | 1 | 2D 1H-1H NOESY |
| 10 | 1 | 10 | 3D HCCH-TOCSY |
| 11 | 1 | 8 | 3D HCCH-COSY |
| 12 | 1 | 12 | 3D HCCH-COSY |
| 13 | 1 | 10 | 3D HCCH-COSY |
| 14 | 2 | 4 | 2D 1H-15N HNN-COSY |
| 15 | 1 | 12 | 2D 1H-13C HNCO |
| 16 | 1 | 9 | 2D 1H-13C H5(6)C5(6)C4NH3 |
| 17 | 1 | 9 | 2D 1H-13C H5(6)C5(6)C4N4H4 |
| 18 | 1 | 8 | 2D 1H-15N HCN aromatic |
| 19 | 1 | 12 | 2D 1H-15N HCN aromatic |
| 2 | 1 | 8 | 3D 1H-13C NOESY aliphatic |
| 20 | 1 | 10 | 2D 1H-15N HCN aromatic |
| 21 | 1 | 8 | 2D 1H-15N HCN aliphatic |
| 22 | 1 | 12 | 2D 1H-15N HCN aliphatic |
| 23 | 1 | 10 | 2D 1H-15N HCN aliphatic |
| 24 | 1 | 4 | D 1H-15N 2bond-HSQC |
| 25 | 1 | 8 | 2D 1H-1H HCCH-TOCSY (adenine) |
| 26 | 1 | 8 | 2D 1H-31P H(C)P |
| 27 | 1 | 12 | 2D 1H-31P H(C)P |
| 28 | 1 | 10 | 2D 1H-31P H(C)P |
| 29 | 1 | 2 | 2D HCCH-COSY |
| 3 | 1 | 12 | 3D 1H-13C NOESY aliphatic3D 1H-13C NOESY aliphatic |
| 30 | 1 | 11 | 2D 1H-13C long-rangeH8(C8)C5(N1)H1 |
| 31 | 1 | 4 | 2D CMPG NOESY |
| 32 | 1 | 2 | 3D 1H-13C NOESY aliphatic |
| 33 | 1 | 1 | 3D 1H-13C NOESY aromatic |
| 34 | 1 | 13 | lr-2D-HNN-COSY |
| 35 | 1 | 13 | 2D-HNN-COSY NH2 |
| 36 | 1 | 8 | 3D 13C-F1 filtered, 13C-F3-edited NOESY HSQC |
| 37 | 1 | 12 | 3D 13C-F1 filtered, 13C-F3-edited NOESY HSQC |
| 38 | 1 | 10 | 3D 13C-F1 filtered, 13C-F3-edited NOESY HSQC |
| 39 | 2 | 4 | 2D 1H-15N HSQC |
| 4 | 1 | 10 | 3D 1H-13C NOESY aliphatic |
| 40 | 2 | 4 | 2D 1H-15N HSQC NH2 only |
| 41 | 1 | 6 | 2D 1H-13C HSQC aromatic |
| 42 | 1 | 6 | 2D 1H-13C HSQC aliphatic |
| 43 | 1 | 3 | 2D 15N-F2 edited 1H,1H NOESY |
| 44 | 1 | 8 | 3D HCCH-TOCSY-CCH-E.COSY |
| 45 | 1 | 10 | 3D HCCH-TOCSY-CCH-E.COSY |
| 46 | 1 | 12 | 3D HCCH-TOCSY-CCH-E.COSY |
| 5 | 1 | 7 | 2D 1H-13C NOESY aromatic |
| 6 | 1 | 11 | 2D 2D 1H-13C NOESY aromatic |
| 7 | 1 | 9 | 3D 1H-13C NOESY aromatic |
| 8 | 1 | 8 | 3D HCCH-TOCSY |
| 9 | 1 | 12 | 3D HCCH-TOCSY |
NMR Sample
| conditions id | NMR sample pH | NMR sample pressure | NMR sample temperature |
| 1 | 6.3 | 1 | 293 |
| 2 | 6.3 | 1 | 283 |
Conformers
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 10 |
