9BU4
Crystal structure of an MKP5 mutant, Y435W, in complex with 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... (A, B, C, D, E...) | Dual specificity protein phosphatase 10 | polymer | 148 | 17089.6 | 12 | UniProt (Q9Y6W6) Pfam (PF00782) | Homo sapiens (human) | Mitogen-activated protein kinase phosphatase 5,MAP kinase phosphatase 5,MKP-5 |
| 2 | M, N, O, P, Q... (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 | 12 | Chemie (CJA) | |||
| 3 | AA, BA, CA, DA, EA... (C, D, E, F, G...) | water | water | 18.0 | 21 | Chemie (HOH) |
Sequence modifications
A, B, C, D, E, F, G, H, I, J, K, L: 320 - 466 (UniProt: Q9Y6W6)
| PDB | External Database | Details |
|---|---|---|
| Met 319 | - | initiating methionine |
| Trp 435 | Tyr 435 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 12 |
| Total formula weight | 205075.4 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 4374.6 | |
| All* | Total formula weight | 209450.0 |
