MolNFT v1 · #132721 · protein

Pandda analysis group deposition FORM1 MAP kinase P38-alpha -- fragment N08078B in complex with MAP kinase P38-alpha

5R8Y · Mitogen-activated protein kinase 14: “Pandda analysis group deposition FORM1 MAP kinase P38-alpha -- fragment N08078B in complex with MAP kinase…”. X-ray diffraction, 4 ligands (SMV, MG, CL), 7 pockets (best druggability 0.70).…

PDB: 5R8Y
Type: protein
Length: 346 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: SMV, MG, CL, SO4
Pockets: 7 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Mitogen-activated protein kinase 14 (EC 2.7.11.24)	protein	346	40% helix, 14% strand	P47811

Ligands and binding sites

SMV · Thiophene-2-carbothioamide · ligand · chains A
MG · Magnesium ion · metal · chains A
CL · Chloride ion · ion · 6 copies · chains A
SO4 · Sulfate ion · ion · 4 copies · chains A
DMS · Dimethyl sulfoxide · additive · chains A

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

Pockets

7 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	294	0.70	0.84	39	SMV
2	218	0.52	0.77	25	SO4
3	135	0.44	0.76	24	empty
4	83	0.39	0.77	16	CL
5	106	0.38	0.75	19	empty

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 5R8Y · PDBe 5R8Y · UniProt P47811

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