Magnesium in PDB 5opl: Crystal Structure of K25E Cn-II Mutant

All present enzymatic activity of Crystal Structure of K25E Cn-II Mutant:
3.1.3.5;

The structure of Crystal Structure of K25E Cn-II Mutant, PDB code: 5opl was solved by M.Kugler, A.Hnizda, P.Pachl, P.Rezacova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.05 / 1.80
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	92.262, 127.576, 129.988, 90.00, 90.00, 90.00
R / Rfree (%)	19 / 21.4

The binding sites of Magnesium atom in the Crystal Structure of K25E Cn-II Mutant (pdb code 5opl). 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 K25E Cn-II Mutant, PDB code: 5opl:

Magnesium binding site 1 out of 1 in the Crystal Structure of K25E Cn-II Mutant


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 K25E Cn-II Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg610 b:43.1 occ:1.00 OD2 A:ASP52 2.3 24.4 1.0 O A:ASP54 2.4 20.8 1.0 OD1 A:ASP351 2.4 28.1 1.0 O A:HOH736 2.6 56.9 1.0 O A:HOH770 2.7 35.5 1.0 CD2 A:HIS352 3.2 31.0 0.5 CG A:ASP52 3.3 22.8 1.0 C A:ASP54 3.3 20.4 1.0 CG A:ASP351 3.4 25.7 1.0 NE2 A:HIS352 3.6 32.4 0.5 OD2 A:ASP351 3.6 26.5 1.0 CB A:ASP54 3.7 22.1 1.0 CA A:ASP54 3.8 21.3 1.0 OD1 A:ASP52 3.8 23.2 1.0 N A:ASP54 3.9 21.1 1.0 O A:HOH709 4.1 24.8 1.0 O A:HOH724 4.2 24.5 1.0 CB A:ASP52 4.2 21.2 1.0 OG1 A:THR56 4.4 20.4 1.0 CG A:HIS352 4.4 30.4 0.5 N A:TYR55 4.5 19.7 1.0 O A:HOH717 4.6 31.0 1.0 O A:HOH912 4.7 46.5 1.0 C A:MET53 4.7 20.8 1.0 CB A:TYR55 4.7 19.7 1.0 CB A:ASP351 4.8 24.1 1.0 CE1 A:HIS352 4.8 32.9 0.5 CA A:TYR55 5.0 19.7 1.0 N A:ASP351 5.0 22.1 1.0

A.Hnizda, M.Fabry, T.Moriyama, P.Pachl, M.Kugler, V.Brinsa, D.B.Ascher, W.L.Carroll, P.Novak, M.Zaliova, J.Trka, P.Rezacova, J.J.Yang, V.Veverka. Relapsed Acute Lymphoblastic Leukemia-Specific Mutations in NT5C2 Cluster Into Hotspots Driving Intersubunit Stimulation. Leukemia V. 32 1393 2018.
ISSN: ESSN 1476-5551
PubMed: 29535428
DOI: 10.1038/S41375-018-0073-5