Magnesium in PDB 4d4i: Understanding Bi-Specificity of A-Domains

The structure of Understanding Bi-Specificity of A-Domains, PDB code: 4d4i 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)	60.94 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	68.425, 82.686, 90.153, 90.00, 90.00, 90.00
R / Rfree (%)	19 / 24.5

The binding sites of Magnesium atom in the Understanding Bi-Specificity of A-Domains (pdb code 4d4i). 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: 4d4i:

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:Mg1493 b:34.3 occ:1.00 O1A A:ANP1490 2.4 20.9 0.5 N A:ARG1491 2.4 58.0 1.0 OD1 A:ASP200 2.6 18.6 1.0 O1A A:ANP1490 2.7 32.2 0.5 O A:ILE306 3.1 20.1 1.0 CA A:ARG1491 3.1 53.5 1.0 OD2 A:ASP200 3.1 20.1 1.0 CG A:ASP200 3.2 19.9 1.0 O A:GLY300 3.3 20.4 1.0 N A:THR302 3.5 18.5 1.0 C A:PRO301 3.6 17.6 1.0 PA A:ANP1490 3.6 21.9 0.5 CA A:ILE306 3.7 18.8 1.0 C A:ILE306 3.8 20.0 1.0 C A:ARG1491 3.8 56.2 1.0 PA A:ANP1490 3.8 33.7 0.5 CA A:THR302 3.9 18.4 1.0 O A:PRO301 3.9 17.5 1.0 O A:ARG1491 3.9 47.3 1.0 OG1 A:THR302 4.0 19.3 1.0 O2A A:ANP1490 4.0 20.5 0.5 CA A:PRO301 4.0 18.5 1.0 C A:GLY300 4.1 19.6 1.0 O2A A:ANP1490 4.1 31.7 0.5 O2G A:ANP1490 4.2 36.7 0.5 N A:ILE306 4.3 18.7 1.0 CB A:ARG1491 4.4 52.0 1.0 O2B A:ANP1490 4.4 36.6 0.5 N A:PRO301 4.5 17.9 1.0 CB A:THR302 4.6 18.2 1.0 O3A A:ANP1490 4.7 25.1 0.5 O5' A:ANP1490 4.7 30.8 0.5 CB A:ASP200 4.7 18.8 1.0 O5' A:ANP1490 4.7 20.3 0.5 OXT A:ARG1491 4.7 64.6 1.0 O1G A:ANP1490 4.8 36.5 0.5 N3B A:ANP1490 4.8 47.6 0.5 CG2 A:ILE306 4.8 17.6 1.0 CG2 A:VAL201 4.8 23.0 1.0 C5' A:ANP1490 4.8 29.8 0.5 CB A:ILE306 4.9 17.2 1.0 PG A:ANP1490 4.9 54.7 0.5 O A:HOH2090 4.9 23.6 1.0 C5' A:ANP1490 4.9 21.0 0.5

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