5MNW
Solution structure of the cinaciguat bound human beta1 H-NOX.
Spectrometer
Experimental method: SOLUTION NMR
Spectrometer ID | Spectrometer maker | Spectrometer model | Spectrometer type | Spectrometer field strength |
1 | Bruker | AVANCE II | 800 | |
2 | Bruker | AVANCE II | 500 |
Experiment
experiment id | conditions id | solution id | Experiment type |
1 | 1 | 1 | 2D 1H-13C HSQC |
10 | 1 | 1 | 3D HN(CA)CO |
11 | 1 | 1 | H[C]_H{[c(0)]+[n(0)]}.through-space |
12 | 1 | 1 | H[c(0)]_H[c(0)].through-space |
13 | 1 | 1 | H_H{[n(0)]+[c(0)]}.through-space |
14 | 1 | 1 | H[c(0)]_H[c(0)].relayed |
15 | 1 | 1 | 3D HN(COCA)HA |
16 | 1 | 1 | 2D 1H-1H NOESY |
19 | 2 | 1 | 2D 1H-15N HSQC |
2 | 1 | 1 | 2D 1H-15N HSQC |
3 | 1 | 1 | 3D HNCO |
4 | 1 | 1 | 3D HCCH-TOCSY |
5 | 1 | 1 | 3D HNCA |
6 | 1 | 1 | 3D 1H-13C NOESY |
7 | 1 | 1 | 3D 1H-15N NOESY |
8 | 1 | 1 | 3D CBCA(CO)NH |
9 | 1 | 1 | 3D HNCACB |
NMR Sample
conditions id | NMR sample pH | NMR sample pressure | NMR sample temperature |
1 | 6.5 | 1 | 298 |
2 | 6.5 | 1 | 310 |
Conformers
Conformers Calculated Total Number | 200 |
Conformers Submitted Total Number | 10 |