MolNFT v1 · #128147 · protein

Human ERK2 with an ERK1/2 inhibitor

5NHV · Mitogen-activated protein kinase 1: “Human ERK2 with an ERK1/2 inhibitor”. X-ray diffraction, 2 ligands (8QB, SO4), 4 pockets (best druggability 0.65). MolNFT v1 #128147 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5NHV
Type: protein
Length: 345 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: 8QB, SO4
Pockets: 4 · best druggability 0.65

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 2.7.11.24)	protein	345	39% helix, 15% strand	P28482

Ligands and binding sites

8QB · 7-[2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydro-2~{H}-pyrrolo[1,2-a]pyrazin-1-one · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	303	0.65	0.81	38	8QB
2	124	0.49	0.80	29	empty
3	57	0.49	0.85	14	empty
4	57	0.31	0.76	17	empty

Compared structures

5NHV · Human Erk2 with an Erk1/2 inhibitor · 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 5NHV · PDBe 5NHV · UniProt P28482

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