MolNFT v1 · #93197 · protein

ADP-bound form of the ERK2 kinase

4GVA · Mitogen-activated protein kinase 1: “ADP-bound form of the ERK2 kinase”. X-ray diffraction, 1 ligand (ADP), 3 pockets (best druggability 0.65). MolNFT v1 #93197 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4GVA
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: P63086
Ligands: ADP
Pockets: 3 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Mitogen-activated protein kinase 1 (EC 2.7.11.24)	protein	346	41% helix, 14% strand	P63086

Ligands and binding sites

ADP · Adenosine-5'-diphosphate · ligand · chains A
GOL · Glycerol · additive · 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, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	339	0.65	0.80	37	ADP
2	88	0.56	0.86	23	empty
3	89	0.51	0.83	18	empty

Modifications

Observed in the structure: 1 modified (artifact).

Compared structures

4GVA · ADP-bound form of the ERK2 kinase · 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 0.97

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 4GVA · PDBe 4GVA · UniProt P63086

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