Magnesium in PDB 3ju5: Crystal Structure of Dimeric Arginine Kinase at 1.75-A Resolution

All present enzymatic activity of Crystal Structure of Dimeric Arginine Kinase at 1.75-A Resolution:
2.7.3.3;

The structure of Crystal Structure of Dimeric Arginine Kinase at 1.75-A Resolution, PDB code: 3ju5 was solved by X.Wu, S.Ye, S.Guo, W.Yan, M.Bartlam, Z.Rao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	75.34 / 1.75
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	86.881, 59.868, 139.873, 90.00, 92.72, 90.00
R / Rfree (%)	17 / 22.7

The binding sites of Magnesium atom in the Crystal Structure of Dimeric Arginine Kinase at 1.75-A Resolution (pdb code 3ju5). 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 Dimeric Arginine Kinase at 1.75-A Resolution, PDB code: 3ju5:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Dimeric Arginine Kinase at 1.75-A Resolution


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 Dimeric Arginine Kinase at 1.75-A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg371 b:13.9 occ:1.00 O B:HOH1007 2.8 24.0 1.0 O A:HOH1139 2.9 29.4 1.0 O B:HOH623 3.1 13.3 1.0 O A:HOH452 3.1 11.1 1.0 NH1 A:ARG50 3.3 19.6 1.0 N A:ALA2 3.5 13.7 1.0 CA A:ALA2 3.6 12.4 1.0 CG A:ARG50 3.9 9.1 1.0 CD A:ARG50 4.1 8.5 1.0 O A:HOH1076 4.2 19.4 1.0 CG2 A:THR47 4.2 9.9 1.0 O B:HOH966 4.3 6.3 1.0 O A:HOH420 4.4 14.9 1.0 OG1 A:THR47 4.4 9.0 1.0 CZ A:ARG50 4.4 16.4 1.0 NH1 B:ARG50 4.5 16.7 1.0 O A:HOH465 4.5 10.9 1.0 C A:ALA2 4.6 12.4 1.0 NE A:ARG50 4.7 13.7 1.0 CB A:ALA2 4.7 13.6 1.0 O B:HOH972 4.7 11.3 1.0 O A:HOH404 4.9 14.8 1.0 O A:HOH761 5.0 24.5 1.0 CB A:THR47 5.0 7.2 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Dimeric Arginine Kinase at 1.75-A Resolution


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 Dimeric Arginine Kinase at 1.75-A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg371 b:12.0 occ:1.00 O C:HOH414 3.1 12.4 1.0 O C:HOH449 3.1 17.3 1.0 O D:HOH3043 3.2 22.2 1.0 O D:HOH451 3.2 11.2 1.0 NH1 C:ARG50 3.3 12.3 1.0 CA C:ALA2 3.5 15.1 1.0 N C:ALA2 3.5 17.8 1.0 CG C:ARG50 3.8 7.2 1.0 CD C:ARG50 3.9 7.6 1.0 CG2 C:THR47 3.9 11.2 1.0 O D:HOH1091 4.2 26.7 1.0 OG1 C:THR47 4.3 9.3 1.0 O D:HOH412 4.4 7.9 1.0 CZ C:ARG50 4.4 15.8 1.0 O C:HOH407 4.4 9.7 1.0 CB C:ALA2 4.5 14.5 1.0 C C:ALA2 4.5 12.5 1.0 O D:HOH427 4.5 9.0 1.0 NE C:ARG50 4.6 9.3 1.0 O D:HOH410 4.7 17.3 1.0 NH1 D:ARG50 4.7 11.3 1.0 CB C:THR47 4.8 10.2 1.0 O C:HOH434 4.9 11.8 1.0 N C:ASN3 5.0 10.2 1.0

X.Wu, S.Ye, S.Guo, W.Yan, M.Bartlam, Z.Rao. Structural Basis For A Reciprocating Mechanism of Negative Cooperativity in Dimeric Phosphagen Kinase Activity Faseb J. V. 24 242 2010.
ISSN: ISSN 0892-6638
PubMed: 19783784
DOI: 10.1096/FJ.09-140194