6MC1
Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-(methylthio)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor
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... | Dual specificity protein phosphatase 10 | polymer | 152 | 17450.0 | 6 | UniProt (Q9Y6W6) Pfam (PF00782) In PDB | Homo sapiens (Human) | Mitogen-activated protein kinase phosphatase 5,MKP-5 |
| 2 | A, B, C, D, E... | 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one | non-polymer | 364.5 | 6 | Chemie (CJA) | |||
| 3 | B, C, D, E, F | 2,3-DIHYDROXY-1,4-DITHIOBUTANE | non-polymer | 154.3 | 5 | Chemie (DTT) | |||
| 4 | B | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) |
Sequence modifications
A, B, C, D, E, F: 320 - 467 (UniProt: Q9Y6W6)
| PDB | External Database | Details |
|---|---|---|
| Gly 316 | - | expression tag |
| Ser 317 | - | expression tag |
| His 318 | - | expression tag |
| Met 319 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 6 |
| Total formula weight | 104699.8 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 3017.6 | |
| All* | Total formula weight | 107717.4 |
