Magnesium in PDB 5dbx: Crystal Structure of Murine Spak(T243D) in Complex with Amppnp

All present enzymatic activity of Crystal Structure of Murine Spak(T243D) in Complex with Amppnp:
2.7.11.1;

The structure of Crystal Structure of Murine Spak(T243D) in Complex with Amppnp, PDB code: 5dbx was solved by Y.-C.Juang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.33 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	66.442, 101.736, 104.077, 90.00, 90.00, 90.00
R / Rfree (%)	20.6 / 24.6

The structure of Crystal Structure of Murine Spak(T243D) in Complex with Amppnp also contains other interesting chemical elements:

Arsenic

(As)

8 atoms

The binding sites of Magnesium atom in the Crystal Structure of Murine Spak(T243D) in Complex with Amppnp (pdb code 5dbx). 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 Murine Spak(T243D) in Complex with Amppnp, PDB code: 5dbx:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Murine Spak(T243D) in Complex with Amppnp


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 Murine Spak(T243D) in Complex with Amppnp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:54.4 occ:1.00 O1A A:ANP401 2.1 56.3 1.0 N3B A:ANP401 2.3 53.5 1.0 O1B A:ANP401 3.0 64.2 1.0 PB A:ANP401 3.1 56.4 1.0 PA A:ANP401 3.4 53.1 1.0 O3A A:ANP401 3.7 60.9 1.0 PG A:ANP401 3.8 67.8 1.0 OD1 A:ASN209 3.9 49.1 1.0 NZ A:LYS104 4.0 50.3 1.0 OD1 A:ASP222 4.1 85.5 1.0 O5' A:ANP401 4.2 52.5 1.0 O1G A:ANP401 4.4 94.2 1.0 O3G A:ANP401 4.4 73.5 1.0 O2A A:ANP401 4.5 48.6 1.0 O2B A:ANP401 4.5 61.8 1.0 CB A:ALA221 4.6 55.8 1.0 O2G A:ANP401 4.9 72.9 1.0 CG A:ASN209 5.0 43.2 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Murine Spak(T243D) in Complex with Amppnp


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 Murine Spak(T243D) in Complex with Amppnp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg402 b:62.0 occ:1.00 O1A B:ANP401 2.3 63.8 1.0 N3B B:ANP401 2.8 69.0 1.0 O1B B:ANP401 3.1 50.6 1.0 PB B:ANP401 3.5 53.8 1.0 OD1 B:ASN209 3.5 43.3 1.0 PA B:ANP401 3.7 62.8 1.0 O3A B:ANP401 4.1 78.7 1.0 C5' B:ANP401 4.2 60.3 1.0 O B:HOH502 4.2 72.9 1.0 CB B:ALA221 4.3 38.1 1.0 OD1 B:ASP222 4.3 73.0 1.0 PG B:ANP401 4.4 73.1 1.0 NZ B:LYS104 4.5 54.3 1.0 O5' B:ANP401 4.6 56.7 1.0 CG B:ASN209 4.7 47.3 1.0 O B:ASP222 4.7 74.0 1.0 O2A B:ANP401 4.7 62.6 1.0 O2G B:ANP401 4.8 62.8 1.0 O2B B:ANP401 4.8 90.2 1.0 O1G B:ANP401 5.0 82.7 1.0 C8 B:ANP401 5.0 59.8 1.0

C.A.Taylor, Y.C.Juang, S.Earnest, S.Sengupta, E.J.Goldsmith, M.H.Cobb. Domain-Swapping Switch Point in STE20 Protein Kinase Spak. Biochemistry V. 54 5063 2015.
ISSN: ISSN 0006-2960
PubMed: 26208601
DOI: 10.1021/ACS.BIOCHEM.5B00593