Magnesium in PDB 5i4n: Crystal Structure of the E596A V617F Mutant JAK2 Pseudokinase Domain Bound to Mg-Atp

All present enzymatic activity of Crystal Structure of the E596A V617F Mutant JAK2 Pseudokinase Domain Bound to Mg-Atp:
2.7.10.2;

The structure of Crystal Structure of the E596A V617F Mutant JAK2 Pseudokinase Domain Bound to Mg-Atp, PDB code: 5i4n was solved by A.K.Shiau, A.Motamedi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.45 / 1.54
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.429, 56.965, 114.868, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 19.3

The binding sites of Magnesium atom in the Crystal Structure of the E596A V617F Mutant JAK2 Pseudokinase Domain Bound to Mg-Atp (pdb code 5i4n). 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 E596A V617F Mutant JAK2 Pseudokinase Domain Bound to Mg-Atp, PDB code: 5i4n:

Magnesium binding site 1 out of 1 in the Crystal Structure of the E596A V617F Mutant JAK2 Pseudokinase Domain Bound to Mg-Atp


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 E596A V617F Mutant JAK2 Pseudokinase Domain Bound to Mg-Atp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1001 b:17.2 occ:1.00 OD1 A:ASN678 2.0 17.8 1.0 O A:HOH1192 2.1 16.9 1.0 O2A A:ATP1000 2.1 19.0 1.0 O3G A:ATP1000 2.1 20.9 1.0 O2B A:ATP1000 2.1 17.4 1.0 O A:HOH1151 2.1 24.2 1.0 CG A:ASN678 3.0 17.8 1.0 HD21 A:ASN678 3.1 24.9 1.0 PB A:ATP1000 3.2 18.1 1.0 HG A:SER698 3.3 30.0 1.0 PG A:ATP1000 3.3 19.5 1.0 PA A:ATP1000 3.3 19.4 1.0 ND2 A:ASN678 3.4 20.8 1.0 HZ1 A:LYS581 3.5 34.8 1.0 O3B A:ATP1000 3.5 18.3 1.0 HE3 A:LYS677 3.5 26.2 1.0 O3A A:ATP1000 3.5 17.8 1.0 O A:HOH1152 3.6 20.6 1.0 O2G A:ATP1000 4.0 19.9 1.0 O A:HOH1196 4.1 23.9 1.0 HA A:ASN678 4.1 18.7 1.0 OG A:SER698 4.1 25.0 1.0 HZ2 A:LYS581 4.2 34.8 1.0 NZ A:LYS581 4.2 29.0 1.0 HD21 A:ASN673 4.2 33.1 1.0 HD22 A:ASN678 4.2 24.9 1.0 HB2 A:SER698 4.2 22.1 1.0 CB A:ASN678 4.3 15.8 1.0 HG3 A:LYS677 4.3 31.0 1.0 O5' A:ATP1000 4.3 17.2 1.0 HZ2 A:LYS677 4.3 42.9 1.0 O1A A:ATP1000 4.4 20.2 1.0 CE A:LYS677 4.4 21.9 1.0 O1G A:ATP1000 4.4 22.0 1.0 H8 A:ATP1000 4.5 21.6 1.0 HB3 A:ASN678 4.5 19.0 1.0 HB3 A:SER698 4.5 22.1 1.0 CB A:SER698 4.5 18.4 1.0 O1B A:ATP1000 4.5 20.9 1.0 O A:HOH1122 4.5 26.7 1.0 HZ3 A:LYS581 4.5 34.8 1.0 HD2 A:LYS677 4.6 29.5 1.0 CA A:ASN678 4.7 15.6 1.0 HZ1 A:LYS677 4.7 42.9 1.0 NZ A:LYS677 4.7 35.7 1.0 ND2 A:ASN673 4.7 27.6 1.0 HD22 A:ASN673 4.9 33.1 1.0 HB2 A:ASN678 5.0 19.0 1.0 CD A:LYS677 5.0 24.6 1.0 O A:HOH1143 5.0 26.0 1.0

E.Leroy, A.Dusa, D.Colau, A.Motamedi, X.Cahu, C.Mouton, L.J.Huang, A.K.Shiau, S.N.Constantinescu. Uncoupling JAK2 V617F Activation From Cytokine-Induced Signalling By Modulation of JH2 Alpha C Helix. Biochem.J. V. 473 1579 2016.
ISSN: ESSN 1470-8728
PubMed: 27029346
DOI: 10.1042/BCJ20160085