9AXM
Crystal structure of ARAF/MEK1 complex with NST-628 and a RAF dimer
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, C (A, C) | Dual specificity mitogen-activated protein kinase kinase 1 | polymer | 310 | 34543.8 | 2 | UniProt (Q02750) Pfam (PF00069) | Homo sapiens (human) | MAP kinase kinase 1,MAPKK 1,MKK1,ERK activator kinase 1,MAPK/ERK kinase 1,MEK 1 |
2 | B, D (B, D) | Serine/threonine-protein kinase A-Raf | polymer | 280 | 31722.6 | 2 | UniProt (P10398) Pfam (PF07714) | Homo sapiens (human) | Proto-oncogene A-Raf,Proto-oncogene A-Raf-1,Proto-oncogene Pks |
3 | E, K (A, C) | 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 | 2 | Chemie (A1AHE) | |||
4 | F, H (A, B) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
5 | G, I (A, B) | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | non-polymer | 506.2 | 2 | Chemie (ANP) | |||
6 | J (B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
7 | L, M, N (C, D) | GLYCEROL | non-polymer | 92.1 | 3 | Chemie (GOL) | |||
8 | O, P, Q, R (A, B, C, D) | water | water | 18.0 | 117 | Chemie (HOH) |
Sequence modifications
A, C: 37 - 263 (UniProt: Q02750)
A, C: 308 - 383 (UniProt: Q02750)
B, D: 298 - 576 (UniProt: P10398)
PDB | External Database | Details |
---|---|---|
Gly 36 | - | expression tag |
Ala 218 | Ser 218 | engineered mutation |
Ala 222 | Ser 222 | engineered mutation |
PDB | External Database | Details |
---|---|---|
Gly 264 | - | linker |
Ser 265 | - | linker |
Gly 266 | - | linker |
Ser 305 | - | linker |
Gly 306 | - | linker |
Ser 307 | - | linker |
PDB | External Database | Details |
---|---|---|
Gly 297 | - | expression tag |
Asp 301 | Tyr 301 | engineered mutation |
Asp 302 | Tyr 302 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 4 |
Total formula weight | 132532.8 | |
Non-Polymers* | Number of molecules | 10 |
Total formula weight | 2376.3 | |
All* | Total formula weight | 134909.1 |