MolNFT v1 · #132749 · protein

Pandda analysis group deposition FORM1 MAP kinase P38-alpha -- fragment N07422B in complex with MAP kinase P38-alpha

5R9Q · Mitogen-activated protein kinase 14: “Pandda analysis group deposition FORM1 MAP kinase P38-alpha -- fragment N07422B in complex with MAP kinase…”. X-ray diffraction, 3 ligands (LVD, CL, SO4), 7 pockets (best druggability 0.64).…

PDB: 5R9Q
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: LVD, CL, SO4
Pockets: 7 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Mitogen-activated protein kinase 14 (EC 2.7.11.24)	protein	346	40% helix, 16% strand	P47811

Ligands and binding sites

LVD · 1-phenylmethoxyurea · ligand · chains A
CL · Chloride ion · ion · 4 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

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	391	0.64	0.79	43	LVD
2	261	0.54	0.76	29	empty
3	71	0.35	0.77	19	empty
4	82	0.34	0.74	17	empty
5	72	0.31	0.74	20	empty

Compared structures

5R9Q · PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N07422b in… · 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 5R9Q · PDBe 5R9Q · UniProt P47811

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