Magnesium in PDB 4v3r: Designed Armadillo Repeat Protein with 5 Internal Repeats, 2ND Generation C-Cap and 3RD Generation N-Cap.

The structure of Designed Armadillo Repeat Protein with 5 Internal Repeats, 2ND Generation C-Cap and 3RD Generation N-Cap., PDB code: 4v3r was solved by C.Reichen, C.Madhurantakam, A.Pluckthun, P.Mittl, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	91.86 / 1.95
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	129.910, 129.910, 70.200, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 22.917

The binding sites of Magnesium atom in the Designed Armadillo Repeat Protein with 5 Internal Repeats, 2ND Generation C-Cap and 3RD Generation N-Cap. (pdb code 4v3r). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Designed Armadillo Repeat Protein with 5 Internal Repeats, 2ND Generation C-Cap and 3RD Generation N-Cap., PDB code: 4v3r:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Designed Armadillo Repeat Protein with 5 Internal Repeats, 2ND Generation C-Cap and 3RD Generation N-Cap.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Designed Armadillo Repeat Protein with 5 Internal Repeats, 2ND Generation C-Cap and 3RD Generation N-Cap. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1001 b:29.5 occ:1.00 O B:HOH2203 2.1 17.6 1.0 O A:HOH2201 2.2 14.5 1.0 O A:HOH2200 2.2 32.2 1.0 O A:HOH2199 2.2 27.9 1.0 O B:HOH2210 2.2 35.8 1.0 O B:HOH2209 2.2 29.2 1.0 O B:HOH2208 2.3 40.9 1.0 O B:HOH2207 2.4 47.8 1.0 OE1 B:GLU275 4.1 29.4 1.0 OE1 A:GLU275 4.1 31.5 1.0 OE2 B:GLU275 4.2 25.5 1.0 OE2 A:GLU275 4.2 27.7 1.0 CD A:GLU275 4.6 29.7 1.0 CD B:GLU275 4.6 28.4 1.0

Magnesium binding site 2 out of 3 in the Designed Armadillo Repeat Protein with 5 Internal Repeats, 2ND Generation C-Cap and 3RD Generation N-Cap.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Designed Armadillo Repeat Protein with 5 Internal Repeats, 2ND Generation C-Cap and 3RD Generation N-Cap. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1002 b:39.9 occ:1.00 O B:HOH2151 1.9 39.5 1.0 O B:HOH2211 2.1 36.4 1.0 O B:HOH2214 2.1 36.6 1.0 O B:HOH2212 2.3 19.3 1.0 O B:HOH2213 2.4 20.9 1.0 O B:HOH2054 3.7 47.6 1.0 O B:HOH2150 4.2 17.0 1.0 O B:SER190 4.2 15.9 1.0 O B:HOH2153 4.2 30.5 1.0 O B:HOH2180 4.6 11.0 1.0 CA B:PRO191 4.6 17.7 1.0

Magnesium binding site 3 out of 3 in the Designed Armadillo Repeat Protein with 5 Internal Repeats, 2ND Generation C-Cap and 3RD Generation N-Cap.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Designed Armadillo Repeat Protein with 5 Internal Repeats, 2ND Generation C-Cap and 3RD Generation N-Cap. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1003 b:45.2 occ:1.00 O A:HOH2026 2.0 35.0 1.0 O A:HOH2027 2.0 32.3 1.0 O A:HOH2066 2.1 42.1 1.0 O A:HOH2032 2.1 28.6 1.0 O B:HOH2188 2.2 32.0 1.0 O B:HOH2165 2.3 32.4 1.0 OD1 A:ASP43 4.0 21.2 1.0 O A:SER82 4.1 15.9 1.0 OG A:SER82 4.1 16.9 1.0 O B:HOH2191 4.1 35.2 1.0 O A:HOH2024 4.1 33.3 1.0 O B:SER250 4.2 21.7 0.5 O B:SER250 4.2 21.2 0.5 O A:GLY41 4.4 26.6 1.0 O B:HOH2189 4.5 33.8 1.0 OD1 B:ASP211 4.7 19.1 1.0 C A:SER82 4.8 15.8 1.0 CB A:SER82 4.8 16.8 1.0 O A:HOH2033 4.9 21.8 1.0

C.Reichen, C.Madhurantakam, S.Hansen, M.G.Grutter, A.Pluckthun, P.R.E.Mittl. Structures of Designed Armadillo-Repeat Proteins Show Propagation of Inter-Repeat Interface Effects Acta Crystallogr.,Sect.D V. 72 168 2016.
ISSN: ISSN 0907-4449
PubMed: 26894544
DOI: 10.1107/S2059798315023116