7UMB: NanoBRET tracer Tram-bo

NanoBRET tracer Tram-bo bound to a KSR2-MEK1 complex. Determined by X-ray diffraction at 3.23 Å resolution. Released 27 Sept 2023.

Method
X-ray diffraction
Resolution
3.23 Å
Organism
Homo sapiens
Chains
2
Atoms
4,781
Mol. weight
84.92 kDa
Ligands
U9F, ANP
Released
27 Sept 2023

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

Secondary structure: helices and β-sheets

7UMB contains 34 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-strand65411
α-helix656-6583
β-strand667-67371
β-strand679-68461
β-strand688-69581
α-helix701-71414
β-strand72212
β-strand725-72731
β-strand730-73121
β-strand734-74071
β-strand745-74622
α-helix747-7515
α-helix760-77920
α-helix789-7913
β-strand792-79542
β-strand798-80142
α-helix806-8094
β-strand821-82553
α-helix829-8313
α-helix834-8374
α-helix846-8483
α-helix853-86917
α-helix879-88810
α-helix895-8973
α-helix901-91010
α-helix915-9173
α-helix919-9202
α-helix921-9299
Chain C: 18 helices, 11 β-strands
ElementResiduesLengthSheet
α-helix45-5814
α-helix65-673
β-strand68-7364
β-strand82-8764
β-strand93-10084
α-helix105-11410
α-helix117-1204
β-strand12315
β-strand12615
α-helix127-1282
β-strand129-13574
β-strand138-14474
β-strand149-15025
α-helix151-1577
α-helix163-18321
α-helix193-1953
β-strand196-19835
β-strand204-20635
α-helix213-2186
β-strand221-22553
α-helix232-2354
α-helix243-25816
α-helix265-2662
α-helix268-2736
α-helix310-31910
α-helix321-3233
α-helix332-34110
α-helix359-3657
α-helix371-3799

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
Kinase suppressor of Ras 2Bprotein342Homo sapiensQ6VAB6 (AlphaFold model)
Dual specificity mitogen-activated protein kinase kinase 1Cprotein384Homo sapiensQ02750 (AlphaFold model)
Sequence of entity 1 (B), FASTA
>7UMB_1 Kinase suppressor of Ras 2 (chains B)
MSYYHHHHHHDYDIPTTENLYFQGAEMNLSLLSARSFPRKASQTSIFLQEWDIPFEQLEI
GELIGKGRFGQVYHGRWHGEVAIRLIDIERDNEDQLKAFKREVMAYRQTRHENVVLFMGA
CMSPPHLAIITSLCKGRTLYSVVRDAKIVLDVNKTRQIAQEIVKGMGYLHAKGILHKDLK
SKNVFYDNGKVVITDFGLFSISGVLQAGRREDKLRIQNGWLCHLAPEIIRQLSPDTEEDK
LPFSKHSDVFALGTIWYELHAREWPFKTQPAEAIIWQMGTGMKPNLSQIGMGKEISDILL
FCWAFEQEERPTFTKLMDMLEKLPKRNRRLSHPGHFWKSAEL
Sequence of entity 2 (C), FASTA
>7UMB_2 Dual specificity mitogen-activated protein kinase kinase 1 (chains C)
MSYYHHHHHHDYDIPTTENLYFQGAKKLEELELDEQQRKRLEAFLTQKQKVGELKDDDFE
KISELGAGNGGVVFKVSHKPSGLVMARKLIHLEIKPAIRNQIIRELQVLHECNSPYIVGF
YGAFYSDGEISICMEHMDGGSLDQVLKKAGRIPEQILGKVSIAVIKGLTYLREKHKIMHR
DVKPSNILVNSRGEIKLCDFGVSGQLIDSMANSFVGTRSYMSPERLQGTHYSVQSDIWSM
GLSLVEMAVGRYPIPPPDAKELELMFGCQVEGDAAETPPRPRTPGRPLSSYGMDSRPPMA
IFELLDYIVNEPPPKLPSAVFSLEFQDFVNKCLIKNPAERADLKQLMVHAFIKRSDAEEV
DFAGWLCSTIGLNQPSTPTHAAGV

Ligands and cofactors

IDNameFormulaCopies
U9F{3-[(1M,2M)-2-{[(1S,2P)-1H,1'H-[2,2'-bipyrrol]-5-yl-kappaN~1~]methylidene}-2H-p…C47 H46 B F3 I N9 O71
ANPPhosphoaminophosphonic acid-adenylate esterC10 H17 N6 O12 P32

Primary citation

Live-cell target engagement of allosteric MEKi on MEK-RAF/KSR-14-3-3 complexes. Marsiglia, W.M., Chow, A., Khan, Z.M. et al. Nat Chem Biol (2024) 20:373-381. DOI 10.1038/s41589-023-01454-8 · PubMed

Other PDB entries of the same protein (UniProt Q6VAB6 (AlphaFold model), which also has an AlphaFold model), best resolution first:

Browse structure collections

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