9O0V
Crystal structure of CRAF/MEK1 complex with PLX4720, CH5126766, and AMPPNP
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, C, E, G (A, C, E, G) | RAF proto-oncogene serine/threonine-protein kinase | polymer | 280 | 32005.8 | 4 | UniProt (P04049) Pfam (PF00069) | Homo sapiens (human) | Proto-oncogene c-RAF,cRaf,Raf-1 |
| 2 | B, D, F, H (B, D, F, H) | Dual specificity mitogen-activated protein kinase kinase 1 | polymer | 395 | 43576.0 | 4 | UniProt (Q02750) Pfam (PF00069) | Homo sapiens (human) | MAP kinase kinase 1,MAPKK 1,MKK1,ERK activator kinase 1,MAPK/ERK kinase 1,MEK 1 |
| 3 | I, L, O, R (A, C, E, G) | N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide | non-polymer | 413.8 | 4 | Chemie (324) | |||
| 4 | J, M, P, S (B, D, F, H) | N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl]methyl}pyridin-2-yl)-N'-methylsulfuric diamide | non-polymer | 471.5 | 4 | Chemie (CHU) | |||
| 5 | K, N, Q, T (B, D, F, H) | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | non-polymer | 506.2 | 4 | Chemie (ANP) | |||
| 6 | U, V, W (A, E, G) | water | water | 18.0 | 8 | Chemie (HOH) |
Sequence modifications
A, C, E, G: 337 - 615 (UniProt: P04049)
B, D, F, H: 1 - 393 (UniProt: Q02750)
| PDB | External Database | Details |
|---|---|---|
| Ser 336 | - | expression tag |
| Asp 340 | Tyr 340 | engineered mutation |
| Asp 341 | Tyr 341 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Gly -1 | - | expression tag |
| Gly 0 | - | expression tag |
| Ala 218 | Ser 218 | engineered mutation |
| Ala 222 | Ser 222 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 8 |
| Total formula weight | 302327.4 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 5565.9 | |
| All* | Total formula weight | 307893.3 |
