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Crystal structure of the brs domain of braf in complex with the cc-SAM domain of KSR1

Analyse Crystal structure of the brs domain of braf in complex with the cc-SAM domain… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5VYK
Type
protein
Length
405 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Chimera protein of brs domain of braf and cc-SAM domain of KSR1,SERINE/THREONINE-protein…
EC
2.7.11.1
UniProt
Q8IVT5, P15056
Pockets
5 · best druggability 0.80

Structure

x-ray diffraction · 2 distinct chains · 78% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AChimera protein of brs domain of braf and cc-SAM domain of KSR1,SERINE/THREONINE-protein kinase B-RAF (EC 2.7.11.1)protein20278% helix, 0% strandQ8IVT5, P15056
CChimera protein of brs domain of braf and cc-SAM domain of KSR1,SERINE/THREONINE-protein kinase B-RAF (EC 2.7.11.1)protein20378% helix, 0% strandQ8IVT5, P15056

Ligands and binding sites

  • GOL · Glycerol · additive · 2 copies · chains A, C

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11500.800.9631empty
21090.760.9634empty
32170.490.7521empty
42110.490.7534empty
52030.460.7421empty

Interfaces

1 interface between chains.

  • A–C · 3284 Ų buried · 36 hydrogen bonds · protein-protein

Compared structures

  • 5VYK · Crystal structure of the BRS domain of BRAF in complex with the CC-SAM domain of KSR1 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8IVT5 · AlphaFold monomer V2.0 prediction for kinase suppressor of RAS 1 (Q8IVT5) · a predicted model of the same protein · chain A against A, TM-score 0.71
  • 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 0.42

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