6YX1
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, G (A, B) | 2-[[2-(5-oxidanylidenepentanoyl)hydrazinyl]methyl]benzoic acid | non-polymer | 264.3 | 2 | Chemie (PWT) PubChem (155804480) | |||
| 3 | D, H (A, B) | THREONINE | non-polymer | 119.1 | 2 | Chemie (THR) PubChem (205) PubChem (69435) PubChem (90624) PubChem (99289) PubChem (6399258) PubChem (11768555) PubChem (17757249) PubChem (17757244) PubChem (6288) | |||
| 4 | E, I (A, B) | ARGININE | non-polymer | 175.2 | 2 | Chemie (ARG) | |||
| 5 | F, J (A, B) | LEUCINE | non-polymer | 131.2 | 2 | Chemie (LEU) PubChem (6106) PubChem (439524) PubChem (857) | |||
| 6 | K, L (A, B) | water | water | 18.0 | 113 | 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 | 2 |
| Total formula weight | 24682.6 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 1379.6 | |
| All* | Total formula weight | 26062.1 |
