2MM3
Solution NMR structure of the ternary complex of human ileal bile acid-binding protein with glycocholate and glycochenodeoxycholate
Spectrometer
Experimental method: SOLUTION NMR
Spectrometer ID | Spectrometer maker | Spectrometer model | Spectrometer type | Spectrometer field strength |
1 | Varian | Varian NMR System | Varian Varian NMR System | 600 |
Experiment
experiment id | conditions id | solution id | Experiment type |
1 | 1 | 1 | 2D 1H-15N HSQC |
10 | 1 | 1 | 2D CG(CB)HB |
11 | 1 | 1 | 2D CG(CD)HD |
12 | 1 | 1 | 2D CG(CDCE)HE |
13 | 1 | 1 | 2D 1H-13C HSQC aliphatic |
14 | 1 | 1 | 2D 1H-13C HSQC aromatic |
15 | 1 | 1 | 3D 1H-15N NOESY |
16 | 1 | 1 | 3D 1H-13C NOESY aliphatic |
17 | 1 | 1 | 3D 1H-13C NOESY aromatic |
18 | 1 | 1 | 3D NH-NH NOESY |
19 | 1 | 1 | 3D MET-MET NOESY |
2 | 1 | 1 | 3D HNCACB |
20 | 1 | 2 | 2D 1H-15N HSQC |
21 | 1 | 2 | 2D 15N-edited NOESY |
22 | 1 | 3 | 2D 1H-13C HSQC |
23 | 1 | 3 | 2D 13C-edited NOESY |
24 | 1 | 4 | 2D 1H-13C HSQC |
25 | 1 | 4 | 2D 13C-edited NOESY |
26 | 1 | 5 | 2D 1H-13C HSQC |
27 | 1 | 5 | 2D 13C-edited NOESY |
3 | 1 | 1 | 3D CBCA(CO)NH |
4 | 1 | 1 | 3D HNCO |
5 | 1 | 1 | CBCACOCAHA |
6 | 1 | 1 | HN(CO)CA |
7 | 1 | 1 | 3D CC-TOCSY-NNH |
8 | 1 | 1 | 3D HCC-TOCSY |
9 | 1 | 1 | 3D HCCH-TOCSY |
NMR Sample
conditions id | NMR sample pH | NMR sample pressure | NMR sample temperature |
1 | 6.3 | ambient | 293 |
Conformers
Conformers Calculated Total Number | 100 |
Conformers Submitted Total Number | 10 |