2MGY
Solution structure of the mitochondrial translocator protein (TSPO) in complex with its high-affinity ligand PK11195
Spectrometer
Experimental method: SOLUTION NMR
Spectrometer ID | Spectrometer maker | Spectrometer model | Spectrometer type | Spectrometer field strength |
1 | Bruker | AVANCE | Bruker Avance | 800 |
2 | Bruker | AVANCE | Bruker Avance | 900 |
Experiment
experiment id | conditions id | solution id | Experiment type |
1 | 1 | 1 | 2D 1H-15N HSQC |
10 | 1 | 1 | 3D 1H-15N NOESY |
11 | 1 | 1 | 3D 1H-13C NOESY aliphatic |
12 | 1 | 1 | 3D 1H-13C NOESY aromatic |
13 | 1 | 1 | 3D 1H-13C NOESY |
14 | 1 | 4 | 3D CBCA(CO)NH |
15 | 1 | 4 | 3D HNCO |
16 | 1 | 4 | 3D HNCA |
17 | 1 | 4 | 3D HNCACB |
18 | 1 | 4 | 3D HN(CO)CA |
19 | 1 | 6 | 3D CBCA(CO)NH |
2 | 1 | 1 | 2D 1H-13C HSQC aliphatic |
20 | 1 | 6 | 3D HNCO |
21 | 1 | 6 | 3D HNCA |
22 | 1 | 6 | 3D HNCACB |
23 | 1 | 6 | 3D HN(CO)CA |
24 | 1 | 5 | 2D 1H-13C HSQC aliphatic |
25 | 1 | 5 | 3D 1H-13C NOESY aliphatic |
26 | 1 | 3 | 3D CBCA(CO)NH |
27 | 1 | 3 | 3D HNCO |
28 | 1 | 3 | 3D HNCA |
29 | 1 | 3 | 3D HNCACB |
3 | 1 | 1 | 2D 1H-13C HSQC aromatic |
30 | 1 | 3 | 3D HN(CO)CA |
31 | 1 | 7 | 3D CBCA(CO)NH |
32 | 1 | 7 | 3D HNCO |
33 | 1 | 7 | 3D HNCA |
34 | 1 | 7 | 3D HNCACB |
35 | 1 | 7 | 3D HN(CO)CA |
36 | 1 | 7 | 3D 1H-13C NOESY aliphatic |
37 | 1 | 7 | 3D 1H-13C NOESY aromatic |
38 | 1 | 2 | 2D 1H-13C HSQC aliphatic |
39 | 1 | 2 | 2D 1H-13C HSQC aromatic |
4 | 1 | 1 | 3D CBCA(CO)NH |
40 | 1 | 2 | 3D 1H-13C NOESY aliphatic |
41 | 1 | 2 | 3D 1H-13C NOESY aromatic |
42 | 1 | 2 | 3D HCCH-TOCSY |
43 | 1 | 3 | 2D 1H-15N HSQC |
44 | 1 | 4 | 2D 1H-15N HSQC |
45 | 1 | 5 | 2D 1H-15N HSQC |
46 | 1 | 6 | 2D 1H-15N HSQC |
47 | 1 | 7 | 2D 1H-15N HSQC |
48 | 1 | 2 | 2D 1H-15N HSQC |
49 | 1 | 4 | 3D 1H-15N NOESY |
5 | 1 | 1 | 3D HNCO |
50 | 1 | 6 | 2D 1H-13C HSQC aliphatic |
51 | 1 | 6 | 2D 1H-13C HSQC aromatic |
6 | 1 | 1 | 3D HNCA |
7 | 1 | 1 | 3D HNCACB |
8 | 1 | 1 | 3D HN(CO)CA |
9 | 1 | 1 | 3D HCCH-TOCSY |
NMR Sample
conditions id | NMR sample pH | NMR sample pressure | NMR sample temperature |
1 | 6 | ambient | 315 |
Conformers
Conformers Calculated Total Number | 105 |
Conformers Submitted Total Number | 20 |