MolNFT v1 · #121750 · protein

Crystal structure of the E596A V617F mutant JAK2 pseudokinase domain bound to mg-ATP

5I4N · Tyrosine-protein kinase JAK2: “Crystal structure of the E596A V617F mutant JAK2 pseudokinase domain bound to mg-ATP”. X-ray diffraction, 2 ligands (ATP, MG), 2 pockets (best druggability 0.60). MolNFT v1 #121750 on GenesisL1: 3D…

PDB: 5I4N
Type: protein
Length: 275 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: ATP, MG
Pockets: 2 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tyrosine-protein kinase JAK2 (EC 2.7.10.2)	protein	275	41% helix, 21% strand	O60674

Ligands and binding sites

ATP · Adenosine-5'-triphosphate · ligand · chains A
MG · Magnesium ion · metal · 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	244	0.60	0.80	28	ATP, MG
2	100	0.46	0.80	22	GOL

Compared structures

5I4N · Crystal Structure of the E596A V617F Mutant JAK2 Pseudokinase Domain Bound to Mg-ATP · 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 5I4N · PDBe 5I4N · UniProt O60674

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