Research workbench
Crystal structure of the BRAF:MEK1 kinases in complex with amppnp and cobimetinib
Analyse Crystal structure of the BRAF:MEK1 kinases in complex with amppnp and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7M0V
- Type
- protein
- Length
- 584 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase B-RAF; Dual specificity mitogen-activated protein kinase…
- EC
- 2.7.11.1, 2.7.12.2
- UniProt
- P15056, Q02750
- Ligands
- ANP, EUI, MG
- Pockets
- 5 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase B-RAF (EC 2.7.11.1) | protein | 274 | 41% helix, 15% strand | P15056 |
| B | Dual specificity mitogen-activated protein kinase kinase 1 (EC 2.7.12.2) | protein | 310 | 45% helix, 15% strand | Q02750 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 2 copies · chains A, B
- EUI · [3,4-bis(fluoranyl)-2-[(2-fluoranyl-4-iodanyl-phenyl) amino]phenyl]-[3-oxidanyl-3-[(2S)-piperidin-2-yl]azetidin-1-yl]methanone · ligand · chains B
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1150 | 0.87 | 0.88 | 122 | ANP, MG, EUI |
| 2 | 130 | 0.49 | 0.79 | 25 | empty |
| 3 | 164 | 0.48 | 0.77 | 19 | empty |
| 4 | 126 | 0.46 | 0.78 | 22 | empty |
| 5 | 50 | 0.32 | 0.78 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 1374 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 7M0V · Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and Cobimetinib · the same entry in another collection · chain A against A, TM-score 1.00
- P15056 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase B-RAF (P15056) · a predicted model of the same protein · chain A against A, TM-score 0.94
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P15056
- Every structure of UniProt Q02750
- Elsewhere: RCSB PDB 7M0V · PDBe 7M0V · UniProt P15056 · UniProt Q02750
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