9TWB
Crystal structure of BRAF(val600):MEK1(pS222) complex with asymmetric dimer interface bound to ADP
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, D (A, D) | Dual specificity mitogen-activated protein kinase kinase 1 | polymer | 333 | 36865.3 | 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, C (C, B) | Serine/threonine-protein kinase B-raf | polymer | 282 | 32084.7 | 2 | UniProt (P15056) Pfam (PF07714) | Homo sapiens (human) | Proto-oncogene B-Raf,p94,v-Raf murine sarcoma viral oncogene homolog B1 |
| 3 | E, H, L, Q (A, C, B, D) | ADENOSINE-5'-DIPHOSPHATE | non-polymer | 427.2 | 4 | Chemie (ADP) | |||
| 4 | F, G, I, J, M... (A, C, B, D) | CALCIUM ION | non-polymer | 40.1 | 8 | Chemie (CA) PubChem (271) | |||
| 5 | K, P (C, B) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) PubChem (753) | |||
| 6 | O (B) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) PubChem (923) | |||
| 7 | T, U, V, W (A, C, B, D) | water | water | 18.0 | 46 | Chemie (HOH) |
Sequence modifications
C, B: 445 - 723 (UniProt: P15056)
| PDB | External Database | Details |
|---|---|---|
| Ser 442 | - | expression tag |
| Asn 443 | - | expression tag |
| Ala 444 | - | expression tag |
| Ala 543 | Ile 543 | engineered mutation |
| Ser 544 | Ile 544 | engineered mutation |
| Lys 551 | Ile 551 | engineered mutation |
| Arg 562 | Gln 562 | engineered mutation |
| Asn 588 | Leu 588 | engineered mutation |
| Ser 630 | Lys 630 | engineered mutation |
| Arg 688 | Ala 688 | engineered mutation |
| Ser 706 | Leu 706 | engineered mutation |
| Arg 709 | Gln 709 | engineered mutation |
| Glu 713 | Ser 713 | engineered mutation |
| Glu 716 | Leu 716 | engineered mutation |
| Glu 720 | Ser 720 | engineered mutation |
| Ser 722 | Pro 722 | engineered mutation |
| Gly 723 | Lys 723 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 137900.1 | |
| Non-Polymers* | Number of molecules | 15 |
| Total formula weight | 2236.6 | |
| All* | Total formula weight | 140136.7 |
