Magnesium in PDB 4fvq: Crystal Structure of the JAK2 Pseudokinase Domain (Mg-Atp-Bound Form)

All present enzymatic activity of Crystal Structure of the JAK2 Pseudokinase Domain (Mg-Atp-Bound Form):
2.7.10.2;

The structure of Crystal Structure of the JAK2 Pseudokinase Domain (Mg-Atp-Bound Form), PDB code: 4fvq was solved by R.M.Bandaranayake, S.R.Hubbard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.70 / 1.75
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.632, 57.548, 60.967, 90.00, 110.85, 90.00
R / Rfree (%)	17.5 / 19.9

The binding sites of Magnesium atom in the Crystal Structure of the JAK2 Pseudokinase Domain (Mg-Atp-Bound Form) (pdb code 4fvq). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of the JAK2 Pseudokinase Domain (Mg-Atp-Bound Form), PDB code: 4fvq:

Magnesium binding site 1 out of 1 in the Crystal Structure of the JAK2 Pseudokinase Domain (Mg-Atp-Bound Form)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of the JAK2 Pseudokinase Domain (Mg-Atp-Bound Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg902 b:24.7 occ:1.00 O2A A:ATP901 1.9 26.5 1.0 O A:HOH1147 1.9 33.6 1.0 O3G A:ATP901 2.0 25.2 1.0 O1B A:ATP901 2.1 23.0 1.0 OD1 A:ASN678 2.1 21.1 1.0 O A:HOH1144 2.4 40.6 1.0 O A:HOH1146 2.6 40.6 1.0 PB A:ATP901 3.1 23.4 1.0 CG A:ASN678 3.1 19.2 1.0 PA A:ATP901 3.2 27.4 1.0 PG A:ATP901 3.2 25.9 1.0 O3B A:ATP901 3.5 25.4 1.0 O3A A:ATP901 3.5 22.6 1.0 ND2 A:ASN678 3.5 18.3 1.0 O A:HOH1061 3.8 27.7 1.0 O A:HOH1145 3.8 42.5 1.0 O2G A:ATP901 3.8 24.8 1.0 NZ A:LYS581 4.0 38.6 1.0 OG A:SER698 4.0 29.6 1.0 O1A A:ATP901 4.2 28.4 1.0 O5' A:ATP901 4.3 22.5 1.0 CB A:ASN678 4.4 17.6 1.0 O2B A:ATP901 4.4 26.3 1.0 O1G A:ATP901 4.4 29.3 1.0 O A:HOH1075 4.5 37.8 1.0 CE A:LYS677 4.5 31.1 1.0 O A:ASP699 4.6 24.1 1.0 CA A:ASN678 4.8 17.6 1.0 NZ A:LYS677 4.8 34.9 1.0 CE A:LYS581 4.8 37.8 1.0 CB A:SER698 5.0 24.9 1.0

R.M.Bandaranayake, D.Ungureanu, Y.Shan, D.E.Shaw, O.Silvennoinen, S.R.Hubbard. Crystal Structures of the JAK2 Pseudokinase Domain and the Pathogenic Mutant V617F. Nat.Struct.Mol.Biol. V. 19 754 2012.
ISSN: ISSN 1545-9993
PubMed: 22820988
DOI: 10.1038/NSMB.2348