9AY7
Crystal structure of CRAF/MEK1 complex with NST-628 and inactive RAF
This is a non-PDB format compatible entry.
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | RAF proto-oncogene serine/threonine-protein kinase | polymer | 280 | 31975.8 | 1 | UniProt (P04049) Pfam (PF00069) In PDB | Homo sapiens (human) | Proto-oncogene c-RAF,cRaf,Raf-1 |
2 | B | Dual specificity mitogen-activated protein kinase kinase 1 | polymer | 394 | 43519.0 | 1 | UniProt (Q02750) Pfam (PF00069) In PDB | Homo sapiens (human) | MAP kinase kinase 1,MAPKK 1,MKK1,ERK activator kinase 1,MAPK/ERK kinase 1,MEK 1 |
3 | A, B | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | non-polymer | 506.2 | 2 | Chemie (ANP) | |||
4 | A, B | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
5 | A | NICKEL (II) ION | non-polymer | 58.7 | 1 | Chemie (NI) | |||
6 | A, B | ACETATE ION | non-polymer | 59.0 | 5 | Chemie (ACT) | |||
7 | A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
8 | B | N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide | non-polymer | 488.5 | 1 | Chemie (A1AHE) | |||
9 | water | water | 18.0 | 174 | Chemie (HOH) |
Sequence modifications
A: 337 - 615 (UniProt: P04049)
B: 1 - 393 (UniProt: Q02750)
PDB | External Database | Details |
---|---|---|
Gly 336 | - | expression tag |
Asp 340 | Tyr 340 | engineered mutation |
Asp 341 | Tyr 341 | engineered mutation |
PDB | External Database | Details |
---|---|---|
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 | 2 |
Total formula weight | 75494.8 | |
Non-Polymers* | Number of molecules | 12 |
Total formula weight | 1965.4 | |
All* | Total formula weight | 77460.2 |