6FGP
NMR solution structure of monomeric CCL5 in complex with a doubly-sulfated N-terminal segment of CCR5
Spectrometer
Experimental method: SOLUTION NMR
| Spectrometer ID | Spectrometer maker | Spectrometer model | Spectrometer type | Spectrometer field strength |
| 1 | Bruker | AVANCE III | 800 |
Experiment
| experiment id | conditions id | solution id | Experiment type |
| 1 | 3 | 1 | 3D HNCACB |
| 10 | 1 | 1 | 3D 1H-15N NOESY |
| 12 | 2 | 1 | 3D 1H-13C NOESY (edited/filtered) |
| 13 | 3 | 1 | 2D 1H-1H TOCSY (double filter) |
| 14 | 2 | 1 | 3D 1H-13C NOESY aliphatic |
| 15 | 2 | 1 | 3D 1H-13C NOESY aromatic |
| 2 | 3 | 1 | 3D CBCA(CO)NH |
| 3 | 3 | 1 | 3D HNCA |
| 4 | 3 | 1 | 3D HNCO |
| 5 | 2 | 1 | 3D HCCH-TOCSY |
| 6 | 1 | 1 | 3D 1H-15N TOCSY |
| 7 | 3 | 1 | 3D HCC(CO)NH-TOCSY |
| 8 | 2 | 1 | 3D CCH-TOCSY |
| 9 | 3 | 1 | 2D 1H-1H NOESY (double filter) |
NMR Sample
| conditions id | NMR sample pH | NMR sample pressure | NMR sample temperature |
| 1 | 4.8 | 1 | 310 |
| 2 | 4.8 | 1 | 310 |
| 3 | 4.8 | 1 | 310 |
Conformers
| Conformers Calculated Total Number | 106 |
| Conformers Submitted Total Number | 10 |
