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ERK2 mini-fragment binding

Analyse ERK2 mini-fragment binding in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6Q7K
Type
protein
Length
346 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Mitogen-activated protein kinase 1
EC
2.7.11.24
UniProt
P28482
Ligands
2AI, SO4
Pockets
3 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMitogen-activated protein kinase 1 (EC 2.7.11.24)protein34640% helix, 13% strandP28482

Ligands and binding sites

  • 2AI · 1H-imidazol-2-amine · ligand · chains A
  • SO4 · Sulfate ion · ion · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13550.660.80432AI
2850.430.8019empty
3680.290.7320empty

Modifications

Observed in the structure: 1 modified (artifact).

Compared structures

  • 6Q7K · ERK2 mini-fragment binding · the same entry in another collection · chain A against A, TM-score 1.00

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