MolNFT v1 · #67581 · protein

2-AMINOPYRAZOLO[1,5-A]PYRIMIDINES as potent and selective inhibitors of JAK2

3IOK · Tyrosine-protein kinase JAK2: “2-AMINOPYRAZOLO[1,5-A]PYRIMIDINES as potent and selective inhibitors of JAK2”. X-ray diffraction, 1 ligand (1P6), 1 pocket (best druggability 0.70). MolNFT v1 #67581 on GenesisL1: 3D structure, binding…

PDB: 3IOK
Type: protein
Length: 287 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: 1P6
Pockets: 1 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tyrosine-protein kinase JAK2 (EC 2.7.10.2)	protein	287	45% helix, 19% strand	O60674

Ligands and binding sites

1P6 · 3-(6-{[(1S)-1-(4-fluorophenyl)ethyl]amino}pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine · ligand · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	493	0.70	0.80	53	1P6

Modifications

Observed in the structure: 2 modified (phosphorylation).

Compared structures

3IOK · 2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2 · 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 3IOK · PDBe 3IOK · UniProt O60674

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