MolNFT v1 · #127760 · protein

Crystal structure of P38ALPHA in complex with lipid pocket ligand 9G

5N64 · Mitogen-activated protein kinase 14: “Crystal structure of P38ALPHA in complex with lipid pocket ligand 9G”. X-ray diffraction, 1 ligand (8OH), 5 pockets (best druggability 0.67). MolNFT v1 #127760 on GenesisL1: 3D structure…

PDB: 5N64
Type: protein
Length: 329 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Mitogen-activated protein kinase 14
EC: 2.7.11.24
UniProt: Q16539
Ligands: 8OH
Pockets: 5 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Mitogen-activated protein kinase 14 (EC 2.7.11.24)	protein	329	40% helix, 15% strand	Q16539

Ligands and binding sites

8OH · 2-phenyl-~{N}4-(thiophen-2-ylmethyl)quinazoline-4,7-diamine · 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, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	165	0.67	0.87	19	8OH
2	181	0.63	0.84	21	empty
3	205	0.60	0.81	27	empty
4	302	0.56	0.76	41	empty
5	72	0.32	0.75	14	empty

Compared structures

5N64 · Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9g · 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 Q16539
Elsewhere: RCSB PDB 5N64 · PDBe 5N64 · UniProt Q16539

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.