2LIE
NMR structure of the lectin CCL2
Spectrometer
Experimental method: SOLUTION NMR
Spectrometer ID | Spectrometer maker | Spectrometer model | Spectrometer type | Spectrometer field strength |
1 | Bruker | AVANCE | Bruker Avance | 500 |
2 | Bruker | AVANCE | Bruker Avance | 600 |
3 | Bruker | AVANCE | Bruker Avance | 750 |
4 | Bruker | AVANCE | Bruker Avance | 900 |
Experiment
experiment id | conditions id | solution id | Experiment type |
1 | 1 | 1 | 2D 1H-15N HSQC |
10 | 1 | 3 | 2D 13C-HSQC for aliphatic region |
11 | 1 | 3 | 2D 13C-HSQC for aromatic region |
12 | 1 | 3 | 3D 13Cedited-NOESY for aliphatic region |
13 | 1 | 3 | 2D 13Cedited NOESY for aromatic region |
14 | 1 | 3 | 3D HNCA |
15 | 1 | 3 | 3D HNCACB |
16 | 1 | 3 | 3D HNCO |
17 | 1 | 4 | 2D 13C-HSQC for aliphatic region |
18 | 1 | 4 | 2D 13C-HSQC for aromatic region |
19 | 1 | 4 | 3D HCCH-COSY |
2 | 1 | 1 | 2D 15N-HSQC |
20 | 1 | 4 | 2D 13C F1-filtered TOCSY |
21 | 1 | 4 | 2D 13C F1-filtered NOESY |
22 | 1 | 4 | 2D 13C F1-filtered, F2-filtered NOESY |
23 | 1 | 4 | 3D 13C F1-edited, F3-filtered NOESY for aliphatic region |
24 | 1 | 4 | 3D 13C F1-edited, F3-filtered NOESY for aromatic region |
25 | 1 | 5 | 2D constant-time 13C-HSQC to unambiguously assign the stereochemical methyl groups of VAL and LEU |
3 | 1 | 1 | 2D NOESY |
4 | 1 | 1 | 3D 15N edited NOESY |
5 | 1 | 1 | 2D 15N F1-filtered,F2-filtered NOESY |
6 | 1 | 2 | 2D NOESY |
7 | 1 | 2 | 2D TOCSY |
8 | 1 | 2 | 2D 13C-HSQC (at natural abundance) |
9 | 1 | 2 | 2D 15N-HSQC (for H/D exchange) |
NMR Sample
conditions id | NMR sample pH | NMR sample pressure | NMR sample temperature |
1 | 5.7 | ambient | 310 |
Conformers
Conformers Calculated Total Number | 300 |
Conformers Submitted Total Number | 20 |