Submission Details
Molecule(s):
N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)O
CC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=O)C(N)=O
Design Rationale:
By eye. Looking at the dimer interface (near fragment X_0887), the Ser1 and Arg4 in particular seem to play a part in binding to the other chain. Suggested peptide binding motif SGFR (although the phenylalanine side-chain is more for internal tertiary structure within its own chain rather than an interaction with the other chain). I have also included an uncharged analogue with acetylated N-terminus, amide C-terminus and citrulline for arginine. Fragment 887 is not on the list so I have chosen a random fragement as this is a required field.