Table I.
Possible conjugates (±monoderivatization) that may correspond to a single signal (e.g. m/z 2509.3101) identified by CrossSearch from a digest of the PhK βγ dimer cross-linked with GMBS
The two separate cross-linked peptides of each conjugate are shown separated by a colon (:).
| m/z calculated | Error | Sequence | Cross-link
|
Monoderivatization
|
||
|---|---|---|---|---|---|---|
| Number | Structurea | Number | Structurea,b | |||
| ppm | ||||||
| 2509.3140 | 1.6 | RVK:IYGHWVKKGQQQNR | 1 | 3 | 1 | 9 |
| 2509.3240 | 5.6 | DPYALR:EILGRGVSSVVRR | 1 | 3 | 1 | 2 or 8 |
| 2509.3279 | 7.1 | PVTREIVIR:IYYQYRR | 1 | 3 | 1 | 9 |
| 2509.3391 | 11.6 | HFSPRGK:KVSGHPNIIQLK | 1 | 3 | 1 | 2 or 8 |
| 2509.2705 | 15.8 | IYYQYR:DPYALRPLRR | 1 | 3 | 1 | 2 or 8 |
| 2509.2705 | 15.8 | IYYQYRR:DPYALRPLR | 1 | 3 | 1 | 2 or 8 |
| 2509.2412 | 27.4 | HFSPR:GQQQNRAALFENTPK | 1 | 3 | ||
| 2509.4153 | 41.9 | KIMR:PVTREIVIRDPYALR | 1 | 3 | ||
| 2509.2012 | 43.4 | RCIHK:HFSPRGKFK | 2 | 5 | 2 | 2 or 8, 9 |
a
The numbers indicated in the column refer to the corresponding structure shown in Fig. 2. Side-chain substitutions will vary based on the nucleophilic chains of Arg, Cys, Lys, Tyr, or His being present in the peptides shown for each conjugate.
b
Structures with the same mass are indicated as “a” or “b.”