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Structure of a MAPK pathway complex

Analyse Structure of a MAPK pathway complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6Q0K
Type
protein
Length
1,024 residues
Chains
4
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
SERINE/THREONINE-protein kinase B-RAF; 14-3-3 protein ZETA/DELTA
EC
2.7.11.1
UniProt
P15056, P63104
Pockets
11 · best druggability 0.82

Structure

electron microscopy · 3 distinct chains · 49% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASERINE/THREONINE-protein kinase B-RAF (EC 2.7.11.1)protein28536% helix, 13% strandP15056
BSERINE/THREONINE-protein kinase B-RAF (EC 2.7.11.1)protein28136% helix, 13% strandP15056
X, Y14-3-3 protein ZETA/DELTAprotein22982% helix, 0% strandP63104

Pockets

11 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111030.820.84174empty
26780.800.8491empty
312000.740.77119empty
411500.720.76135empty
52010.630.8350empty

Interfaces

4 interfaces between chains.

  • B–Y · 235 Ų buried · 0 hydrogen bonds · protein-protein
  • A–X · 232 Ų buried · 0 hydrogen bonds · protein-protein
  • A–B · 153 Ų buried · 0 hydrogen bonds · protein-protein
  • X–Y · 107 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (phosphorylation).

Compared structures

  • 6Q0K · Structure of a MAPK pathway complex · the same entry in another collection · chain Y against Y, TM-score 1.00
  • P63104 · AlphaFold monomer V2.0 prediction for 14-3-3 protein ZETA/DELTA (P63104) · a predicted model of the same protein · chain Y against A, TM-score 0.99
  • P15056 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase B-RAF (P15056) · a predicted model of the same protein · chain B against A, TM-score 0.91

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