Magnesium in PDB 6c7y: Crystal Structure of Inhibitory Protein SOCS1 in Complex with JAK1 Kinase Domain

All present enzymatic activity of Crystal Structure of Inhibitory Protein SOCS1 in Complex with JAK1 Kinase Domain:
2.7.10.2;

The structure of Crystal Structure of Inhibitory Protein SOCS1 in Complex with JAK1 Kinase Domain, PDB code: 6c7y was solved by N.P.D.Liau, A.Laktyushin, I.S.Lucet, J.M.Murphy, S.Yao, K.Callaghan, N.A.Nicola, N.J.Kershaw, J.J.Babon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.61 / 2.50
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	83.926, 83.926, 161.438, 90.00, 90.00, 90.00
R / Rfree (%)	20.7 / 24.1

The binding sites of Magnesium atom in the Crystal Structure of Inhibitory Protein SOCS1 in Complex with JAK1 Kinase Domain (pdb code 6c7y). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Inhibitory Protein SOCS1 in Complex with JAK1 Kinase Domain, PDB code: 6c7y:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Inhibitory Protein SOCS1 in Complex with JAK1 Kinase Domain


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 Inhibitory Protein SOCS1 in Complex with JAK1 Kinase Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1202 b:68.3 occ:1.00 OD2 A:ASP1021 2.1 0.0 1.0 OD1 A:ASN1008 2.2 98.0 1.0 O A:HOH1302 2.3 66.4 1.0 O1A A:ADP1201 2.4 80.2 1.0 O3B A:ADP1201 2.6 90.3 1.0 O A:HOH1317 2.6 86.1 1.0 CG A:ASN1008 3.1 76.2 1.0 CG A:ASP1021 3.1 97.8 1.0 O3A A:ADP1201 3.2 85.1 1.0 PB A:ADP1201 3.3 89.8 1.0 ND2 A:ASN1008 3.3 71.9 1.0 PA A:ADP1201 3.4 77.9 1.0 MG A:MG1203 3.6 65.9 1.0 O2B A:ADP1201 3.6 0.6 1.0 CB A:ASP1021 3.8 82.2 1.0 OD1 A:ASP1021 4.0 0.3 1.0 OD2 A:ASP1003 4.2 80.5 1.0 C5' A:ADP1201 4.3 85.6 1.0 O5' A:ADP1201 4.3 82.8 1.0 CB A:ASN1008 4.5 65.2 1.0 O2A A:ADP1201 4.6 70.4 1.0 NE A:ARG1007 4.6 92.4 1.0 CG A:ARG1007 4.7 68.8 1.0 CA A:GLY884 4.7 0.8 1.0 O1B A:ADP1201 4.8 90.2 1.0 CD A:ARG1007 4.8 78.3 1.0 O A:ARG1007 4.9 83.0 1.0 CA A:ASN1008 5.0 68.2 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Inhibitory Protein SOCS1 in Complex with JAK1 Kinase Domain


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Inhibitory Protein SOCS1 in Complex with JAK1 Kinase Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1203 b:65.9 occ:1.00 OD1 A:ASP1021 2.0 0.3 1.0 OD2 A:ASP1021 2.3 0.0 1.0 O2B A:ADP1201 2.5 0.6 1.0 O A:HOH1325 2.5 74.0 1.0 CG A:ASP1021 2.5 97.8 1.0 O3B A:ADP1201 2.8 90.3 1.0 PB A:ADP1201 3.1 89.8 1.0 MG A:MG1202 3.6 68.3 1.0 OD2 A:ASP1003 3.6 80.5 1.0 O A:HOH1317 3.8 86.1 1.0 CD1 A:PHE886 3.9 0.8 1.0 CB A:ASP1021 4.0 82.2 1.0 O1B A:ADP1201 4.2 90.2 1.0 O3A A:ADP1201 4.3 85.1 1.0 O1A A:ADP1201 4.4 80.2 1.0 NZ A:LYS908 4.5 93.1 1.0 CE1 A:PHE886 4.5 1.0 1.0 N A:GLY1023 4.6 63.4 1.0 CG A:PHE886 4.6 0.6 1.0 CB A:PHE886 4.7 0.4 1.0 CA A:ASP1021 4.7 73.7 1.0 CA A:GLY1023 4.7 63.3 1.0 CG A:ASP1003 4.8 72.3 1.0 PA A:ADP1201 4.8 77.9 1.0 C A:ASP1021 4.9 69.2 1.0 O A:ASP1021 4.9 65.3 1.0 ND2 A:ASN1008 4.9 71.9 1.0

N.P.D.Liau, A.Laktyushin, I.S.Lucet, J.M.Murphy, S.Yao, E.Whitlock, K.Callaghan, N.A.Nicola, N.J.Kershaw, J.J.Babon. The Molecular Basis of Jak/Stat Inhibition By SOCS1. Nat Commun V. 9 1558 2018.
ISSN: ESSN 2041-1723
PubMed: 29674694
DOI: 10.1038/S41467-018-04013-1