MolNFT v1 · #170468 · protein

Novel P38-alpha crystal lattice with highly exposed P38/TAB1 non- canonical ppi surface.

6Y8H · Mitogen-activated protein kinase 14: “Novel P38-alpha crystal lattice with highly exposed P38/TAB1 non- canonical ppi surface.”. X-ray diffraction, 3 ligands (SB4, CA, CL), 3 pockets (best druggability 0.69). MolNFT v1 #170468 on…

PDB: 6Y8H
Type: protein
Length: 344 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: P47811
Ligands: SB4, CA, CL
Pockets: 3 · best druggability 0.69

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Mitogen-activated protein kinase 14 (EC 2.7.11.24)	protein	344	39% helix, 16% strand	P47811

Ligands and binding sites

SB4 · 4-(4-fluorophenyl)-1-(4-piperidinyl)-5-(2-amino-4-pyrimidinyl)-imidazole · ligand · chains A
CA · Calcium ion · metal · 5 copies · chains A
CL · Chloride ion · ion · 2 copies · 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	235	0.69	0.85	32	SB4
2	318	0.58	0.77	44	empty
3	59	0.26	0.73	12	empty

Compared structures

6Y8H · Novel p38-alpha crystal lattice with highly exposed p38/TAB1 non-canonical PPI surface. · 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 P47811
Elsewhere: RCSB PDB 6Y8H · PDBe 6Y8H · UniProt P47811

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