MolNFT v1 · #26789 · protein

Crystal structure of human ERK2 complexed with a pyrazolopyridazine derivative

1WZY · Mitogen-activated protein kinase 1: “Crystal structure of human ERK2 complexed with a pyrazolopyridazine derivative”. X-ray diffraction, 1 ligand (F29), 5 pockets (best druggability 0.66). MolNFT v1 #26789 on GenesisL1: 3D…

PDB: 1WZY
Type: protein
Length: 350 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Mitogen-activated protein kinase 1
EC: 2.7.1.37
UniProt: P28482
Ligands: F29
Pockets: 5 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Mitogen-activated protein kinase 1 (EC 2.7.1.37)	protein	350	39% helix, 15% strand	P28482

Ligands and binding sites

F29 · 1-allyl-5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridazin-3-amine · ligand · chains A

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

Pockets

5 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	223	0.66	0.84	40	empty
2	453	0.65	0.78	45	F29
3	119	0.51	0.80	19	empty
4	70	0.45	0.82	19	empty
5	55	0.29	0.75	13	empty

Compared structures

1WZY · Crystal structure of human ERK2 complexed with a pyrazolopyridazine derivative · the same entry in another collection · chain A against A, TM-score 1.00

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 P28482
Elsewhere: RCSB PDB 1WZY · PDBe 1WZY · UniProt P28482

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