MolNFT v1 · #63834 · protein

P38 kinase crystal structure in complex with R1487

3FLN · Mitogen-activated protein kinase 14: “P38 kinase crystal structure in complex with R1487”. X-ray diffraction, 1 ligand (3FN), 4 pockets (best druggability 0.68). MolNFT v1 #63834 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 3FLN
Type: protein
Length: 343 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: 3FN
Pockets: 4 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
C	Mitogen-activated protein kinase 14 (EC 2.7.11.24)	protein	343	41% helix, 16% strand	Q16539

Ligands and binding sites

3FN · 6-(2,4-difluorophenoxy)-8-methyl-2-(tetrahydro-2H-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8H)-one · ligand · chains C

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

Pockets

4 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	377	0.68	0.81	45	3FN
2	129	0.48	0.79	21	empty
3	78	0.35	0.75	23	empty
4	63	0.29	0.73	15	empty

Compared structures

3FLN · P38 kinase crystal structure in complex with R1487 · the same entry in another collection · chain C against C, 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 3FLN · PDBe 3FLN · UniProt Q16539

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