6YWZ
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 (B, A) | 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 (B) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 3 | D, H (B, A) | 2-[(~{E})-(4-oxidanylidenebutanoylhydrazinylidene)methyl]benzoic acid | non-polymer | 248.2 | 2 | Chemie (PWN) | |||
| 4 | E, I (B, A) | THREONINE | non-polymer | 119.1 | 2 | Chemie (THR) | |||
| 5 | F, J (B, A) | ARGININE | non-polymer | 175.2 | 2 | Chemie (ARG) | |||
| 6 | G, K (B, A) | LEUCINE | non-polymer | 131.2 | 2 | Chemie (LEU) | |||
| 7 | L, M (B, A) | water | water | 18.0 | 76 | Chemie (HOH) |
Sequence modifications
B, A: 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 | 2 |
| Total formula weight | 24682.6 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 1453.6 | |
| All* | Total formula weight | 26136.2 |
