Magnesium in PDB 5c03: Crystal Structure of Kinase

All present enzymatic activity of Crystal Structure of Kinase:
2.7.10.2;

The structure of Crystal Structure of Kinase, PDB code: 5c03 was solved by X.Min, Z.Wang, N.Walker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.120, 47.690, 112.750, 90.00, 93.72, 90.00
R / Rfree (%)	18.2 / 21.9

The binding sites of Magnesium atom in the Crystal Structure of Kinase (pdb code 5c03). 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 Kinase, PDB code: 5c03:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Kinase


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 Kinase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg902 b:5.4 occ:1.00 O A:HOH1049 2.0 33.7 1.0 O3G A:AGS901 2.2 18.3 1.0 O1A A:AGS901 2.2 15.3 1.0 O1B A:AGS901 2.2 14.2 1.0 OD1 A:ASN739 2.2 13.6 1.0 O A:HOH1075 2.4 35.3 1.0 PB A:AGS901 3.4 15.4 1.0 CG A:ASN739 3.4 14.0 1.0 PG A:AGS901 3.4 18.7 1.0 PA A:AGS901 3.5 14.8 1.0 O A:HOH1028 3.5 25.7 1.0 O3B A:AGS901 3.7 16.7 1.0 O3A A:AGS901 3.8 14.5 1.0 OG A:SER758 3.8 17.6 1.0 ND2 A:ASN739 3.9 14.5 1.0 S1G A:AGS901 4.3 22.1 1.0 NZ A:LYS642 4.4 19.2 1.0 NE A:ARG738 4.5 26.7 1.0 O2A A:AGS901 4.5 15.1 1.0 O5' A:AGS901 4.5 16.1 1.0 O A:ASP759 4.6 16.7 1.0 CB A:ASN739 4.6 13.6 1.0 O2B A:AGS901 4.7 15.4 1.0 O2G A:AGS901 4.8 19.7 1.0 O A:HOH1131 4.8 40.9 1.0 CA A:ASN739 4.8 13.4 1.0 CB A:SER758 4.9 15.8 1.0 O A:ARG738 4.9 14.6 1.0 C8 A:AGS901 5.0 14.7 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Kinase


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 Kinase within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg902 b:8.2 occ:1.00 OD1 B:ASN739 2.2 15.9 1.0 O2G B:AGS901 2.2 21.9 1.0 O2B B:AGS901 2.2 16.7 1.0 O2A B:AGS901 2.2 19.4 1.0 O B:HOH1028 2.3 25.9 1.0 O B:HOH1020 2.4 36.2 1.0 CG B:ASN739 3.3 16.8 1.0 PB B:AGS901 3.4 17.4 1.0 PG B:AGS901 3.4 22.6 1.0 PA B:AGS901 3.5 18.1 1.0 O B:HOH1039 3.6 25.6 1.0 O3B B:AGS901 3.8 19.0 1.0 O3A B:AGS901 3.8 17.5 1.0 ND2 B:ASN739 3.8 17.1 1.0 OG B:SER758 4.0 22.8 1.0 NE B:ARG738 4.2 29.9 1.0 S1G B:AGS901 4.2 24.5 1.0 NZ B:LYS642 4.3 23.2 1.0 CB B:ASN739 4.5 16.2 1.0 O1A B:AGS901 4.5 19.1 1.0 O B:ASP759 4.5 19.0 1.0 O5' B:AGS901 4.5 20.0 1.0 O B:HOH1027 4.5 46.9 1.0 CB B:SER758 4.5 18.6 1.0 O1B B:AGS901 4.7 16.7 1.0 NH2 B:ARG738 4.7 36.8 1.0 CA B:ASN739 4.7 16.4 1.0 O3G B:AGS901 4.8 22.3 1.0 C8 B:AGS901 5.0 19.0 1.0 CZ B:ARG738 5.0 34.1 1.0

X.Min, D.Ungureanu, S.Maxwell, H.Hammaren, S.Thibault, E.K.Hillert, M.Ayres, B.Greenfield, J.Eksterowicz, C.Gabel, N.Walker, O.Silvennoinen, Z.Wang. Structural and Functional Characterization of the JH2 Pseudokinase Domain of Jak Family Tyrosine Kinase 2 (TYK2). J.Biol.Chem. V. 290 27261 2015.
ISSN: ESSN 1083-351X
PubMed: 26359499
DOI: 10.1074/JBC.M115.672048