7JUY: KSR1:MEK1

Crystal Structure of KSR1:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor Cobimetinib. Determined by X-ray diffraction at 3.1 Å resolution. Released 7 Oct 2020.

Method
X-ray diffraction
Resolution
3.1 Å
Organisms
Homo sapiens, Oryctolagus cuniculus
Chains
2
Atoms
4,763
Mol. weight
83.31 kDa
Ligands
ANP, EUI, MG
Released
7 Oct 2020

Explore 7JUY in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7JUY contains 36 α-helices and 23 β-strands across 2 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain B: 16 helices, 12 β-strands

ElementResiduesLengthSheet
β-strand60211
β-strand614-62181
β-strand626-63161
β-strand635-64281
α-helix649-66214
β-strand66612
β-strand66912
α-helix670-6712
β-strand672-67871
β-strand681-68771
β-strand692-69322
α-helix694-6985
α-helix707-72620
α-helix736-7383
β-strand739-74242
β-strand745-74842
α-helix753-7553
β-strand769-77023
α-helix773-7775
α-helix781-7866
α-helix793-7953
α-helix800-81617
α-helix826-8349
α-helix837-8459
α-helix850-85910
α-helix864-8663
α-helix868-8692
α-helix870-8789
Chain C: 20 helices, 11 β-strands
ElementResiduesLengthSheet
α-helix44-6017
α-helix65-673
β-strand68-77104
β-strand80-8784
β-strand92-10094
α-helix105-11511
α-helix116-1194
β-strand12315
β-strand12615
α-helix127-1282
β-strand129-13574
β-strand138-14474
β-strand149-15025
α-helix151-1588
α-helix163-18321
α-helix193-1953
β-strand196-19835
β-strand204-20635
α-helix213-2186
α-helix220-2223
β-strand223-22423
α-helix232-2354
α-helix242-25817
α-helix265-2673
α-helix268-2736
α-helix310-31910
α-helix321-3233
α-helix332-34110
α-helix352-3565
α-helix359-3668
α-helix371-3799

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
Kinase suppressor of Ras 1Bprotein334Homo sapiensQ8IVT5 (AlphaFold model)
Dual specificity mitogen-activated protein kinase kinase 1Cprotein384Oryctolagus cuniculusP29678 (AlphaFold model)
Sequence of entity 1 (B), FASTA
>7JUY_1 Kinase suppressor of Ras 1 (chains B)
MSYYHHHHHHDYDIPTTENLYFQGAPISRKASQTSVYLQEWDIPFEQVELGEPIGQGRWG
RVHRGRWHGEVAIRLLEMDGHNQDHLKLFKKEVMNYRQTRHENVVLFMGACMNPPHLAII
TSFCKGRTLHSFVRDPKTSLDINKTRQIAQEIIKGMGYLHAKGIVHKDLKSKNVFYDNGK
VVITDFGLFGISGVVREGRRENQLKLSHDWLCYLAPEIVREMTPGKDEDQLPFSKAADVY
AFGTVWYELQARDWPLKNQAAEASIWQIGSGEGMKRVLTSVSLGKEVSEILSACWAFDLQ
ERPSFSLLMDMLEKLPKLNRRLSHPGHFWKSAEI
Sequence of entity 2 (C), FASTA
>7JUY_2 Dual specificity mitogen-activated protein kinase kinase 1 (chains C)
MSYYHHHHHHDYDIPTTENLYFQGAKKLEELELDEQQRKRLEAFLTQKQKVGELKDDDFE
KISELGAGNGGVVFKVSHKPSGLVMARKLIHLEIKPAIRNQIIRELQVLHECNSPYIVGF
YGAFYSDGEISICMEHMDGGSLDQVLKKAGRIPEQILGKVSIAVIKGLTYLREKHKIMHR
DVKPSNILVNSRGEIKLCDFGVSGQLIDSMANSFVGTRSYMSPERLQGTHYSVQSDIWSM
GLSLVEMAVGRYPIPPPDAKELELMFGCQVEGDAAETPPRPRTPGRPLSSYGMDSRPPMA
IFELLDYIVNEPPPKLPSAVFSLEFQDFVNKCLIKNPAERADLKQLMVHAFIKRSDAEEV
DFAGWLCSTIGLNQPSTPTHAAGV

Ligands and cofactors

IDNameFormulaCopies
ANPPhosphoaminophosphonic acid-adenylate esterC10 H17 N6 O12 P32
EUI[3,4-bis(fluoranyl)-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]phenyl]-[3-oxidanyl-…C21 H21 F3 I N3 O21
MGMagnesium ionMg2

Primary citation

Structural basis for the action of the drug trametinib at KSR-bound MEK. Khan, Z.M., Real, A.M., Marsiglia, W.M. et al. Nature (2020) 588:509-514. DOI 10.1038/s41586-020-2760-4 · PubMed

Other PDB entries of the same protein (UniProt Q8IVT5 (AlphaFold model), which also has an AlphaFold model), best resolution first:

Browse structure collections

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