Magnesium in PDB 9fwa: Retroaldolase 36 (RAD36)

The structure of Retroaldolase 36 (RAD36), PDB code: 9fwa was solved by A.Bijelic, M.Braun, D.Stoll, A.Tripp, M.Chakatok, G.Oberdorfer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.47 / 1.73
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.6, 55.932, 73.336, 90, 90, 90
R / Rfree (%)	18.9 / 23.1

The binding sites of Magnesium atom in the Retroaldolase 36 (RAD36) (pdb code 9fwa). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Retroaldolase 36 (RAD36), PDB code: 9fwa:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Retroaldolase 36 (RAD36)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Retroaldolase 36 (RAD36) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:28.2 occ:1.00 O A:HOH420 2.1 26.6 1.0 O A:HOH434 2.2 30.1 1.0 O A:HOH476 2.2 25.9 1.0 OG A:SER52 3.9 26.0 1.0 O A:HOH421 4.3 26.7 1.0 O A:HOH439 4.3 27.1 1.0 CB A:ASP53 4.3 27.1 1.0 O A:HOH483 4.3 34.0 1.0 O A:HOH436 4.4 23.9 1.0 OD2 A:ASP53 4.4 35.0 1.0 OD2 A:ASP50 4.6 26.1 1.0 CG A:ASP53 4.9 33.6 1.0 NZ A:LYS46 4.9 28.1 1.0

Magnesium binding site 2 out of 2 in the Retroaldolase 36 (RAD36)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Retroaldolase 36 (RAD36) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:28.9 occ:1.00 O A:HOH429 2.0 28.4 1.0 O A:HOH515 2.1 32.6 1.0 O A:LYS49 2.2 22.6 1.0 C A:LYS49 3.3 24.9 1.0 CA A:LYS49 4.0 21.6 1.0 O A:HOH461 4.2 25.0 1.0 O A:HOH578 4.3 39.3 1.0 CB A:LYS49 4.3 23.9 1.0 N A:ASP50 4.4 19.0 1.0 CA A:ASP50 4.7 20.6 1.0 CB A:ASP50 4.7 23.6 1.0

M.Braun, A.Tripp, D.Stoll, S.Kaltenbrunner, M.Chakatok, M.G.Totaro, S.Y.Hoch Cohen, W.Elaily, A.Bijelic, M.Hall, G.Oberdorfer. De Novo Enzyme Design By Artificial Motif Library Scaffolding To Be Published.