Magnesium in PDB 4mwh: Crystal Structure of SCCK2 Alpha in Complex with Atp

All present enzymatic activity of Crystal Structure of SCCK2 Alpha in Complex with Atp:
2.7.11.1;

The structure of Crystal Structure of SCCK2 Alpha in Complex with Atp, PDB code: 4mwh was solved by H.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.91 / 2.09
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	69.773, 69.773, 168.514, 90.00, 90.00, 120.00
R / Rfree (%)	19.6 / 24.1

The binding sites of Magnesium atom in the Crystal Structure of SCCK2 Alpha in Complex with Atp (pdb code 4mwh). 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 SCCK2 Alpha in Complex with Atp, PDB code: 4mwh:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of SCCK2 Alpha in Complex with 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 SCCK2 Alpha in Complex with Atp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:19.3 occ:1.00 O3B A:ATP401 1.9 20.8 1.0 O1A A:ATP401 2.0 19.1 1.0 OD2 A:ASP214 2.0 20.2 1.0 O A:HOH622 2.0 25.1 1.0 O3G A:ATP401 2.1 22.5 1.0 OD1 A:ASN200 2.2 17.6 1.0 PG A:ATP401 2.4 23.7 0.1 CG A:ASP214 3.0 20.0 1.0 CG A:ASN200 3.2 19.0 1.0 PB A:ATP401 3.2 22.5 1.0 PA A:ATP401 3.2 20.2 1.0 O2G A:ATP401 3.3 23.5 0.2 O3A A:ATP401 3.5 21.8 1.0 ND2 A:ASN200 3.5 19.0 1.0 CB A:ASP214 3.6 19.3 1.0 O1G A:ATP401 3.6 25.9 1.0 O2B A:ATP401 3.8 23.1 1.0 OD1 A:ASP214 3.9 19.9 1.0 O3 A:SO4407 4.1 45.8 0.9 O2A A:ATP401 4.3 21.6 1.0 O5' A:ATP401 4.3 21.1 1.0 O4 A:SO4407 4.3 51.9 0.9 C5' A:ATP401 4.3 20.5 1.0 O3' A:ATP401 4.3 20.0 1.0 O1B A:ATP401 4.5 21.6 1.0 CB A:ASN200 4.6 18.7 1.0 OD2 A:ASP195 4.6 21.0 1.0 O A:HIS199 4.7 21.0 1.0 C3' A:ATP401 4.8 21.8 1.0 S A:SO4407 4.8 48.1 0.9 CA A:ASN200 4.9 19.2 1.0 CA A:ASP214 5.0 18.9 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of SCCK2 Alpha in Complex with Atp


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 SCCK2 Alpha in Complex with Atp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:19.6 occ:1.00 ND1 A:HIS187 2.8 15.1 1.0 O A:HOH523 2.9 15.8 1.0 O A:HOH554 2.9 16.3 1.0 N A:ALA354 3.3 17.3 1.0 CE1 A:HIS187 3.6 15.7 1.0 CB A:ALA354 3.7 16.7 1.0 CG A:HIS187 3.8 15.3 1.0 CB A:THR353 3.9 17.1 1.0 CA A:THR353 4.0 16.9 1.0 CB A:HIS187 4.1 15.5 1.0 CA A:ALA354 4.1 18.5 1.0 C A:THR353 4.1 16.4 1.0 CG2 A:VAL11 4.2 17.1 1.0 CD2 A:LEU254 4.3 16.8 1.0 CB A:TYR250 4.6 16.5 1.0 CE2 A:TYR12 4.7 17.4 1.0 CG2 A:THR353 4.7 18.2 1.0 OH A:TYR106 4.7 17.7 1.0 CD2 A:TYR12 4.8 17.2 1.0 NE2 A:HIS187 4.8 16.4 1.0 OD1 A:ASP184 4.9 15.7 1.0 OG1 A:THR353 4.9 17.4 1.0 CD2 A:HIS187 4.9 15.2 1.0 N A:LYS355 5.0 18.5 1.0

H.Liu, H.Wang, M.Teng, X.Li. The Multiple Nucleotide-Divalent Cation Binding Modes of Saccharomyces Cerevisiae CK2 Alpha Indicate A Possible Co-Substrate Hydrolysis Product (Adp/Gdp) Release Pathway. Acta Crystallogr.,Sect.D V. 70 501 2014.
ISSN: ISSN 0907-4449
PubMed: 24531484
DOI: 10.1107/S1399004713027879