MolNFT v1 · #164125 · protein

Fragment N13460A in complex with MAP kinase P38-alpha

6SO2 · Mitogen-activated protein kinase 14: “Fragment N13460A in complex with MAP kinase P38-alpha”. X-ray diffraction, 4 ligands (JGG, MG, CL), 6 pockets (best druggability 0.67). MolNFT v1 #164125 on GenesisL1: 3D structure, binding…

PDB: 6SO2
Type: protein
Length: 345 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: JGG, MG, CL, SO4
Pockets: 6 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Mitogen-activated protein kinase 14 (EC 2.7.11.24)	protein	345	41% helix, 14% strand	P47811

Ligands and binding sites

JGG · N-[(4-cyanophenyl)methyl]morpholine-4-carboxamide · ligand · chains A
MG · Magnesium ion · metal · chains A
CL · Chloride ion · ion · 5 copies · chains A
SO4 · Sulfate ion · ion · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	480	0.67	0.78	62	empty
2	104	0.38	0.75	15	empty
3	78	0.37	0.76	17	CL
4	69	0.31	0.74	15	empty
5	65	0.30	0.74	17	empty

Compared structures

6SO2 · Fragment N13460a in complex with MAP kinase p38-alpha · 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 6SO2 · PDBe 6SO2 · UniProt P47811

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