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RAS guanine exchange factor SOS1 (rem-CDC25) in complex with KRAS(G12C)

Analyse RAS guanine exchange factor SOS1 (rem-CDC25) in complex with KRAS(G12C) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6EPL
Type
protein
Length
631 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
GTPase KRAS; Son of sevenless homolog 1
UniProt
P01116, Q07889
Pockets
10 · best druggability 0.66

Structure

x-ray diffraction · 2 distinct chains · 53% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
RGTPase KRASprotein16940% helix, 25% strandP01116
SSon of sevenless homolog 1protein46258% helix, 5% strandQ07889

Ligands and binding sites

  • GOL · Glycerol · additive · chains R

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

Pockets

10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12270.660.8440empty
23140.620.7941empty
33990.600.7761empty
41170.530.8219empty
51290.430.7628empty

Interfaces

1 interface between chains.

  • R–S · 1734 Ų buried · 19 hydrogen bonds · protein-protein

Compared structures

  • 6EPL · Ras guanine exchange factor SOS1 (Rem-cdc25) in complex with KRAS(G12C) · the same entry in another collection · chain R against R, TM-score 1.00

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