MolNFT v1 · #41046 · protein

Protein kinase MK2 in complex with an inhibitor (crystal form-1, soaking)

2JBO · MAP kinase-activated protein kinase 2: “Protein kinase MK2 in complex with an inhibitor (crystal form-1, soaking)”. X-ray diffraction, 2 ligands (P4O, PO4), 5 pockets (best druggability 0.65). MolNFT v1 #41046 on GenesisL1: 3D…

PDB: 2JBO
Type: protein
Length: 295 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: MAP kinase-activated protein kinase 2
EC: 2.7.11.1
UniProt: P49137
Ligands: P4O, PO4
Pockets: 5 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	MAP kinase-activated protein kinase 2 (EC 2.7.11.1)	protein	295	34% helix, 21% strand	P49137

Ligands and binding sites

P4O · 2-(2-quinolin-3-ylpyridin-4-yl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one · ligand · chains A
PO4 · Phosphate ion · ion · chains A

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

Pockets

5 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	272	0.65	0.82	41	PO4, P4O
2	99	0.39	0.76	16	empty
3	92	0.38	0.76	15	empty
4	76	0.30	0.72	14	empty
5	63	0.27	0.72	15	empty

Compared structures

2JBO · Protein kinase MK2 in complex with an inhibitor (crystal form-1, soaking) · 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 P49137
Elsewhere: RCSB PDB 2JBO · PDBe 2JBO · UniProt P49137

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