MolNFT v1 · #90009 · protein

P38A-PIA23 complex

4E6A · Mitogen-activated protein kinase 14: “P38A-PIA23 complex”. X-ray diffraction, 1 ligand (0O9), 6 pockets (best druggability 0.63). MolNFT v1 #90009 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4E6A
Type: protein
Length: 324 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: 0O9
Pockets: 6 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Mitogen-activated protein kinase 14 (EC 2.7.11.24)	protein	324	39% helix, 14% strand	Q16539

Ligands and binding sites

0O9 · (2S)-2-methoxy-3-(octadecyloxy)propyl (1R,2R,3R,4S,6S)-2,3,4-trihydroxy-6-(2-methylpropoxy)cyclohexyl hydrogen (S)-phosphate · ligand · chains A

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

Pockets

6 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	157	0.63	0.84	21	0O9
2	296	0.57	0.77	35	empty
3	133	0.42	0.75	23	empty
4	66	0.32	0.75	18	empty
5	66	0.31	0.74	14	empty

Compared structures

4E6A · p38a-PIA23 complex · 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 4E6A · PDBe 4E6A · UniProt Q16539

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