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The complex structure of the MAP kinase ERK2/OLOMOUCINE

Analyse The complex structure of the MAP kinase ERK2/OLOMOUCINE in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4ERK
Type: protein
Length: 350 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Extracellular regulated kinase 2
EC: 2.7.1.-
UniProt: P63086
Ligands: OLO, SO4
Pockets: 4 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 12% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Extracellular regulated kinase 2 (EC 2.7.1.-)	protein	350	39% helix, 12% strand	P63086

Ligands and binding sites

OLO · Olomoucine · 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

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	421	0.65	0.78	42	OLO
2	92	0.51	0.83	18	empty
3	66	0.46	0.83	12	empty
4	53	0.27	0.74	14	empty

Compared structures

4ERK · The complex structure of the MAP kinase ERK2/OLOMOUCINE · the same entry in another collection · chain A against A, TM-score 1.00
P63086 · AlphaFold monomer V2.0 prediction for mitogen-activated protein kinase 1 (P63086) · a predicted model of the same protein · chain A against A, TM-score 0.98

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P63086
Elsewhere: RCSB PDB 4ERK · PDBe 4ERK · UniProt P63086

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