MolNFT v1 · #159442 · protein

Phosphorylated ERK2 with gdc-0994

6OPH · Mitogen-activated protein kinase 1: “Phosphorylated ERK2 with gdc-0994”. X-ray diffraction, 1 ligand (6QB), 3 pockets (best druggability 0.68). MolNFT v1 #159442 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6OPH
Type: protein
Length: 348 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: 6QB
Pockets: 3 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Mitogen-activated protein kinase 1 (EC 2.7.11.24)	protein	348	39% helix, 16% strand	P28482

Ligands and binding sites

6QB · 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl) amino]pyrimidin-4-yl]pyridin-2-one · ligand · 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	398	0.68	0.81	47	6QB
2	131	0.50	0.79	27	empty
3	73	0.34	0.76	14	empty

Modifications

Observed in the structure: 2 modified (phosphorylation).

Compared structures

6OPH · phosphorylated ERK2 with GDC-0994 · 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 6OPH · PDBe 6OPH · UniProt P28482

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