MolNFT v1 · #161328 · protein

ERK2 mini-fragment binding

6QAW · Mitogen-activated protein kinase 1: “ERK2 mini-fragment binding”. X-ray diffraction, 2 ligands (HVE, SO4), 3 pockets (best druggability 0.67). MolNFT v1 #161328 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6QAW
Type: protein
Length: 338 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: HVE, SO4
Pockets: 3 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Mitogen-activated protein kinase 1 (EC 2.7.11.24)	protein	338	41% helix, 15% strand	P28482

Ligands and binding sites

HVE · [1-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methylazanium · 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

3 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	357	0.67	0.81	37	HVE
2	149	0.52	0.79	29	empty
3	50	0.28	0.74	11	empty

Modifications

Observed in the structure: 2 modified (artifact).

Compared structures

6QAW · ERK2 mini-fragment binding · 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 6QAW · PDBe 6QAW · UniProt P28482

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