Research workbench

JAK2 in complex with 4-{8-methoxy-2-[(1-methyl-1H-pyrazol-4-yl) AMINO]QUINAZOLIN-6-YL}PHENOL

Analyse JAK2 in complex with 4-{8-methoxy-2-[(1-methyl-1H-pyrazol-4-yl)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7Q7I
Type: protein
Length: 292 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Tyrosine-protein kinase JAK2
EC: 2.7.10.2
UniProt: O60674
Ligands: 9I8
Pockets: 3 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tyrosine-protein kinase JAK2 (EC 2.7.10.2)	protein	292	46% helix, 20% strand	O60674

Ligands and binding sites

9I8 · 4-[8-methoxy-2-[(1-methylpyrazol-4-yl)amino]quinazolin-6-yl]phenol · ligand · chains A

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

Pockets

3 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	309	0.68	0.82	48	9I8
2	190	0.57	0.80	27	empty
3	80	0.31	0.73	20	empty

Modifications

Observed in the structure: 2 modified (phosphorylation).

Compared structures

7Q7I · JAK2 in complex with 4-{8-methoxy-2-[(1-methyl-1H-pyrazol-4-yl)amino]quinazolin-6-yl}pheno… · 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 O60674
Elsewhere: RCSB PDB 7Q7I · PDBe 7Q7I · UniProt O60674

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.