MolNFT v1 · #178204 · protein

JAK2-JH2

7F7W · Tyrosine-protein kinase JAK2: “JAK2-JH2”. X-ray diffraction, 1 ligand (36H), 6 pockets (best druggability 0.68). MolNFT v1 #178204 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7F7W
Type: protein
Length: 550 residues
Chains: 2
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: 36H
Pockets: 6 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Tyrosine-protein kinase JAK2 (EC 2.7.10.2)	protein	275	42% helix, 20% strand	O60674

Ligands and binding sites

36H · 2-((1-(2-fluoro-4-((4-(1-isopropyl-1H-pyrazol-4-yl)-5-methylpyrimidin-2-yl)amino)phenyl)piperidin-4-yl) (methyl)amino)ethan-1-ol · ligand · 2 copies · chains A, B

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

Pockets

6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	325	0.68	0.82	41	36H
2	321	0.68	0.82	43	36H
3	435	0.64	0.78	38	empty
4	440	0.61	0.76	46	empty
5	97	0.50	0.82	20	empty

Interfaces

1 interface between chains.

A–B · 447 Å² buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

7F7W · JAK2-JH2 · 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 7F7W · PDBe 7F7W · UniProt O60674

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