Magnesium in PDB 4d4g: Understanding Bi-Specificity of A-Domains

The structure of Understanding Bi-Specificity of A-Domains, PDB code: 4d4g was solved by H.Kaljunen, S.H.H.Schiefelbein, D.Stummer, S.Kozak, R.Meijers, G.Christiansen, A.Rentmeister, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	60.45 / 2.25
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	68.311, 81.807, 89.729, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 23

The binding sites of Magnesium atom in the Understanding Bi-Specificity of A-Domains (pdb code 4d4g). 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 Understanding Bi-Specificity of A-Domains, PDB code: 4d4g:

Magnesium binding site 1 out of 1 in the Understanding Bi-Specificity of A-Domains


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Understanding Bi-Specificity of A-Domains within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1492 b:44.1 occ:1.00 O1A A:ANP1489 2.3 26.2 0.4 O1A A:ANP1489 2.7 25.0 0.6 OD1 A:ASP200 2.7 15.5 1.0 O A:ILE306 3.0 16.4 1.0 O A:GLY300 3.2 16.4 1.0 OD2 A:ASP200 3.3 16.0 1.0 O2 A:GOL1490 3.3 40.6 1.0 CG A:ASP200 3.4 15.9 1.0 C A:PRO301 3.4 15.7 1.0 N A:THR302 3.4 15.2 1.0 PA A:ANP1489 3.6 26.8 0.4 O1 A:GOL1490 3.6 39.9 1.0 C A:ILE306 3.8 15.7 1.0 CA A:ILE306 3.8 15.8 1.0 PA A:ANP1489 3.8 26.1 0.6 O A:PRO301 3.8 15.1 1.0 C1 A:GOL1490 3.9 43.0 1.0 CA A:PRO301 3.9 16.2 1.0 C A:GLY300 3.9 16.7 1.0 CA A:THR302 3.9 14.9 1.0 OG1 A:THR302 3.9 14.3 1.0 O2A A:ANP1489 4.0 24.8 0.6 O2A A:ANP1489 4.0 26.3 0.4 O1G A:ANP1489 4.0 32.9 0.4 C2 A:GOL1490 4.2 42.3 1.0 N A:PRO301 4.3 16.7 1.0 N A:ILE306 4.4 16.0 1.0 O2B A:ANP1489 4.5 36.3 0.6 O3A A:ANP1489 4.6 29.8 0.4 O2B A:ANP1489 4.6 34.3 0.4 CB A:THR302 4.6 14.5 1.0 O3G A:ANP1489 4.6 34.1 0.4 O5' A:ANP1489 4.7 25.5 0.4 O5' A:ANP1489 4.7 24.0 0.6 PG A:ANP1489 4.7 38.9 0.4 N3B A:ANP1489 4.8 35.3 0.4 C5' A:ANP1489 4.8 22.8 0.6 C5' A:ANP1489 4.8 24.6 0.4 CB A:ASP200 4.9 16.4 1.0 CG2 A:VAL201 4.9 18.2 1.0 CB A:ILE306 5.0 15.3 1.0 PB A:ANP1489 5.0 33.8 0.4 CG2 A:ILE306 5.0 15.7 1.0 CA A:GLY300 5.0 15.5 1.0

H.Kaljunen, S.H.H.Schiefelbein, D.Stummer, S.Kozak, R.Meijers, G.Christiansen, A.Rentmeister. Structural Elucidation of the Bispecificity of A Domains As A Basis For Activating Non-Natural Amino Acids. Angew.Chem.Int.Ed.Engl. V. 54 8833 2015.
ISSN: ISSN 1433-7851
PubMed: 26096082
DOI: 10.1002/ANGE.201503275