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 |
