6YX2
Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | SH3 and multiple ankyrin repeat domains protein 1 | polymer | 112 | 12341.3 | 2 | UniProt (Q9Y566) Pfam (PF17820) | Homo sapiens (Human) | Shank1,Somatostatin receptor-interacting protein,SSTRIP |
| 2 | C, D (C, D) | PWW-THR-ARG-LEU | polymer | 3 | 389.5 | 2 | synthetic construct | ||
| 3 | E, F (C, D) | 4-[[(~{E})-5-oxidanylidenepentanoyldiazenyl]methyl]benzoic acid | non-polymer | 262.3 | 2 | Chemie (PWW) | |||
| 4 | G, H, I, J (A, B, C, D) | water | water | 18.0 | 240 | Chemie (HOH) |
Sequence modifications
A, B: 654 - 762 (UniProt: Q9Y566)
| PDB | External Database | Details |
|---|---|---|
| Gly 651 | - | expression tag |
| Pro 652 | - | expression tag |
| Leu 653 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 25461.5 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 524.5 | |
| All* | Total formula weight | 25986.0 |
