3O5N
Tetrahydroquinoline carboxylates are potent inhibitors of the Shank PDZ domain, a putative target in autism disorders
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D, E... | SH3 and multiple ankyrin repeat domains protein 3 | polymer | 112 | 12205.9 | 8 | UniProt (Q4ACU6) Pfam (PF17820) In PDB | Mus musculus (mouse) | Shank3, Proline-rich synapse-associated protein 2, ProSAP2, SPANK-2 |
| 2 | E | (3aS,4R,9bR)-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4,6-dicarboxylic acid | non-polymer | 304.3 | 1 | Chemie (BR0) | |||
| 3 | water | water | 18.0 | 290 | Chemie (HOH) |
Sequence modifications
A, B, C, D, E, F, G, H: 637 - 744 (UniProt: Q4ACU6)
| PDB | External Database | Details |
|---|---|---|
| Gly 633 | - | expression tag |
| Ala 634 | - | expression tag |
| Ala 635 | - | expression tag |
| Ser 636 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 8 |
| Total formula weight | 97647.4 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 304.3 | |
| All* | Total formula weight | 97951.7 |
