MolNFT v1 · #168868 · protein

Human JAK2 JH1 domain in complex with protac-intermediate linker handle 3

6WTP · Tyrosine-protein kinase JAK2: “Human JAK2 JH1 domain in complex with protac-intermediate linker handle 3”. X-ray diffraction, 1 ligand (U8P), 2 pockets (best druggability 0.59). MolNFT v1 #168868 on GenesisL1: 3D structure, binding…

PDB: 6WTP
Type: protein
Length: 276 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: U8P
Pockets: 2 · best druggability 0.59

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tyrosine-protein kinase JAK2 (EC 2.7.10.2)	protein	276	44% helix, 18% strand	O60674

Ligands and binding sites

U8P · Tert-butyl 4-[(4-{1-[3-(cyanomethyl)-1-(ethylsulfonyl) azetidin-3-yl]-1H-pyrazol-4-yl}-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzoate · ligand · chains A
GOL · Glycerol · additive · chains A

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

Pockets

2 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	328	0.59	0.77	34	U8P
2	89	0.41	0.78	20	empty

Modifications

Observed in the structure: 2 modified (phosphorylation).

Compared structures

6WTP · Human JAK2 JH1 domain in complex with PROTAC-intermediate linker handle 3 · 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 6WTP · PDBe 6WTP · UniProt O60674

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